rel-(1R,3S)-3-(((Phenylmethoxy)carbonyl)amino)cyclohexanecarboxylic acid

HCID 23584443CAS 1259278-10-8
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(N[C@H]1CCC[C@@H](C(=O)O)C1)OCc1ccccc1
InChIKey
LTEORMGXUMWZCU-OLZOCXBDSA-N
Molecular formula
C15H19NO4
Average molar mass
277.31 g/mol
Monoisotopic mass
277.13140809

Names & identifiers

Preferred name
rel-(1R,3S)-3-(((Phenylmethoxy)carbonyl)amino)cyclohexanecarboxylic acid
IUPAC
cis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
English name
(1R,3S)-3-(Carbobenzoxyamino)cyclohexanecarboxylic Acid
Molecular formula
C15H19NO4
Molecular weight
277.32

Names & synonyms

rel-(1R,3S)-3-(((Phenylmethoxy)carbonyl)amino)cyclohexanecarboxylic acidrel-(1R,3S)-3-[[(Phenylmethoxy)carbonyl]amino]cyclohexanecarboxylic acidRefChem:8790991259278-10-8(1R,3S)-3-(Carbobenzoxyamino)cyclohexanecarboxylic Acid(1R,3S)-3-{[(Benzyloxy)carbonyl]amino}cyclohexane-1-carboxylic acid(1R,3S)-3-(((BENZYLOXY)CARBONYL)AMINO)CYCLOHEXANE-1-CARBOXYLIC ACID952616-39-6MFCD20259654Z-1,3-CIS-ACHC-OHCyclohexanecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, (1R,3S)-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
Show more names
(1R,3S)-3-(Cbz-amino)cyclohexanecarboxylic Acid(1R,3S)-3-(Carbobenzoxyamino)cyclohexanecarboxylic Acid >(1R,3S)-3-(Benzyloxycarbonylamino)cyclohexanecarboxylic Acid(1R,3S)-3-[[(Phenylmethoxy)carbonyl]amino]cyclohexanecarboxylic acid
(1R,3S)-rel-3-(((Benzyloxy)carbonyl)amino)cyclohexanecarboxylic acidZ-cis-3-aminocyclohexanecarboxylic acidLTEORMGXUMWZCU-OLZOCXBDSA-NAS-71560T71495EN300-20767472SCHEMBL10007541DTXSID40635077

Database identifiers

CAS
1259278-10-8、952616-39-6
PubChem CID
23584443
DTXSID
DTXSID40635077
EC Number
678-375-0

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
75.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
20

Physicochemical properties

form
powder to crystal
color
White to Almost white
InChI
InChI=1S/C15H19NO4/c17-14(18)12-7-4-8-13(9-12)16-15(19)20-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)/t12-,13+/m1/s1
InChIKey
LTEORMGXUMWZCU-OLZOCXBDSA-N
SMILES
[C@@H]1(C(O)=O)CCC[C@H](NC(OCC2=CC=CC=C2)=O)C1
HS Code
2921.3 · 2921.30.3000

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2921.30.3000

Chemistry & industry

Applications · 1 item

Uses(1R,3S)-3-(Carbobenzoxyamino)cyclohexanecarboxylic acid is a chiral organic building block featuring a carbobenzyloxy (Cbz) protected amino group. It is widely used in pharmaceutical synthesis for developing targeted enzyme inhibitors and cyclic peptides.

Suppliers23 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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