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(RS)-alpha-cyclopropyl-4-phosphonophenylglycine

HCID 2878
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
183364-82-1
Standard SMILES
NC(C(=O)O)(c1ccc(P(=O)(O)O)cc1)C1CC1
InChIKey
IGODGTDUQSMDQU-UHFFFAOYSA-N
Molecular formula
C11H14NO5P
Average molar mass
271.21 g/mol
Monoisotopic mass
271.06095954

Overview

2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid is an alpha-amino acid.

Names & identifiers

Preferred name
(RS)-alpha-cyclopropyl-4-phosphonophenylglycine
IUPAC
2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid
English name
CPPG
Molecular formula
C11H14NO5P
Molecular weight
271.21

Names & synonyms

RefChem:906437(RS)-alpha-cyclopropyl-4-phosphonophenylglycinecppg183364-82-12-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid(RS)-CPPGrac-CPPGC11H14NO5PY8058CHEMBL164642GTPL1413orb1709987
Show more names
(RS)-α-Cyclopropyl-4-phosphonophenylglycine(+/-)-ALPHA-CYCLOPROPYL-4-PHOSPHONOPHENYLGLYCINEBenzeneacetic acid, α-amino-α-cyclopropyl-4-phosphono-CPPG, group II/III metabotropic glutamate receptor antagonist
SCHEMBL7370655CHEBI:125380CPPG, >=98% (HPLC)EX-A14459HB0217MFCD00673967AKOS024458717NCGC00024912-02

Database identifiers

CAS
183364-82-1
PubChem CID
2878
ChEMBL
CHEMBL164642
ChEBI
CHEBI:125380
EC Number
803-112-5
Nikkaji
J1.500.860A

Properties

Computed structural properties

XLogP
-3.1
Topological polar surface area
121 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
383

Physicochemical properties

Boiling point
541.538 · 541.538±60.00 °C(Press: 760.00 Torr)(predicted)
Density
1.565 · 1.565±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.
Store at RT
solubility
2 O: · H2O: >5mg/mL
form
Solid
pka
1.546 · 1.546±0.10(predicted)
color
white to beige
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
264 · P264-P270-P301+P312-P330-P501
Hazard Codes
Xn
Risk Statements
22 · 22
WGK Germany
3 · 3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
3
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications

Uses(RS)-CPPG is the most potent group II/III mGluR antagonist.

Suppliers13 total

Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
Nextpeptide Inc

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
+86-0571-81612335 +8613336028439 · [email protected]

Additional notes

DefinitionChEBI: 2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid is an alpha-amino acid.