Methyl 1-amino-1-cyclopentanecarboxylate (H-Ac5c-OMe)

HCID 231225CAS 78388-61-1
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C1(N)CCCC1
InChIKey
VLNNACMZTDZCFH-UHFFFAOYSA-N
Molecular formula
C7H13NO2
Average molar mass
143.18 g/mol
Monoisotopic mass
143.09462866

Names & identifiers

Preferred name
Methyl 1-amino-1-cyclopentanecarboxylate (H-Ac5c-OMe)
IUPAC
methyl 1-aminocyclopentane-1-carboxylate
English name
Methyl 1-amino-1-cyclopentanecarboxylate
Molecular formula
C7H13NO2
Molecular weight
143.18

Names & synonyms

Methyl 1-amino-1-cyclopentanecarboxylate (H-Ac5c-OMe)RefChem:812641894-353-578388-61-1Methyl 1-amino-1-cyclopentanecarboxylatemethyl 1-aminocyclopentanecarboxylatemethyl 1-aminocyclopentane-1-carboxylate1-Amino-1-cyclopentanecarboxylic acid methyl esterMFCD03426284cycloleucine methyl esterCyclopentanecarboxylic acid, 1-amino-, methyl esterNSC-26981
Show more names
NSC 269811-Amino-1-methoxycarbonyl-cyclopentanMETYHL 1-AMINO-1-CYCLOPENTANECARBOXYLATEMethyl 1-amino-1-cyclopentanecarboxylate HClMethyl 1-amino-1-cyclopentanecarboxylate USP/EP/BP
METHYL 1-AMINOCYCLOPEN TANECARBOXYLATEF2147-09461-Aminocyclopentanecarboxylic acid methyl ester1-Aminocyclopentane-1-carboxylic acid methyl esterNSC26981WQB5JS5W8MSCHEMBL331908SCHEMBL8944405

Database identifiers

CAS
78388-61-1
PubChem CID
231225
DTXSID
DTXSID50282637
UNII
WQB5JS5W8M
EC Number
894-353-5
Nikkaji
J431.768H

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
10

Physicochemical properties

Melting point
203 · 203-205 °C
Boiling point
186.7 · 186.7±23.0 °C(Predicted)
Density
1.081 · 1.081±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
solubility
Dichloromethane, Ethyl Acetate, Methanol
form
Pale Yellow Liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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

Safety data

risk_code
36/37/38
safety_code
26-36/37/39

Chemistry & industry

Applications

UsesThis molecule can be incorporated into specific Cathepsin B inhibitors to increase their specificity.

Upstream & downstream products

Suppliers39 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

14 records
New reaction record

Linked notes

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