Benzyl 1-aminocyclopentane-1-carboxylate

HCID 231228

Notes Reactions

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Basic information

CAS: 5471-59-0
Standard SMILES: NC1(C(=O)OCc2ccccc2)CCCC1
InChIKey: LXWREXKYHMWQRO-UHFFFAOYSA-N
Molecular formula: C13H17NO2
Average molar mass: 219.28 g/mol
Monoisotopic mass: 219.12592878

Names & identifiers

Preferred name: Benzyl 1-aminocyclopentane-1-carboxylate
IUPAC: benzyl 1-aminocyclopentane-1-carboxylate
English name: benzyl 1-aminocyclopentane-1-carboxylate
Molecular formula: C13H17NO2
Molecular weight: 219.28

Names & synonyms

benzyl 1-aminocyclopentane-1-carboxylate5471-59-0NSC26986SCHEMBL3192NCIStruc1_001454NCIStruc2_001288SCHEMBL8395998CHEMBL1619627DTXSID30970020LXWREXKYHMWQRO-UHFFFAOYSA-NNSC-26986AKOS010532075

Show more names

benzyl 1-aminocyclopentanecarboxylateCyclopentanecarboxylic acid, 1-aMino-, phenylMethyl ester

DA-208801-aminocyclopentane-carboxylic acid benzyl ester1-amino-1-cyclopentanecarboxylic acid, benzyl esterA1-19340

Database identifiers

CAS: 5471-59-0
PubChem CID: 231228
DTXSID: DTXSID30970020
ChEMBL: CHEMBL1619627

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 240

Chemistry & industry

Suppliers1 total

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

Related reactions

7 records

New reaction record

HRID 140804As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 196207As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 686991As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 816601As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1609208As reactantuspto-grants-1995_03

HRID 1979753As reactantuspto-grants-1984_11

HRID 2335580As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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