(1S,3S)-3-Aminocyclopentanecarboxylic acid

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Basic information

CAS: 71376-02-8
Standard SMILES: N[C@H]1CC[C@H](C(=O)O)C1
InChIKey: MLLSSTJTARJLHK-WHFBIAKZSA-N
Molecular formula: C6H11NO2
Average molar mass: 129.16 g/mol
Monoisotopic mass: 129.07897859

Overview

(+)-TACP is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid.

Names & identifiers

Preferred name: (1S,3S)-3-Aminocyclopentanecarboxylic acid
IUPAC: trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
English name: Cyclopentanecarboxylic acid, 3-amino-, (1S,3S)- (9CI)
Molecular formula: C6H11NO2
Molecular weight: 129.16

Names & synonyms

71376-02-8(1S,3S)-3-Aminocyclopentanecarboxylic acid(1S,3S)-3-aminocyclopentane-1-carboxylic acid(+)-TACPCyclopentanecarboxylic acid, 3-amino-, (1S,3S)- (9CI)19297-28-0Cyclopentanecarboxylic acid, 3-amino-, (1S,3S)-MFCD11052474SCHEMBL420511CHEMBL4474768CHEBI:33991DTXSID80349646

Show more names

MLLSSTJTARJLHK-WHFBIAKZSA-NPDSP2_000136AKOS006309993(1S,3S)-3-Aminocyclopentanecarboxylicacid(1S,3s) 3-aminocyclopentanecarboxylic acidDB-344511DB-353140(+)-trans-3-Aminocyclopentanecarboxylic acid

Database identifiers

CAS: 71376-02-8
PubChem CID: 656716
DTXSID: DTXSID80349646
ChEMBL: CHEMBL4474768
ChEBI: CHEBI:33991
Nikkaji: J389.136D

Properties

Computed structural properties

XLogP: -2.6
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 124

Physicochemical properties

Boiling point: 264.72 · 264.720±33.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.19 · 1.190±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 4.436 · 4.436±0.20(predicted)

Chemistry & industry

Upstream & downstream products

Upstream raw materials

2-Cyclopentene-1-carboxylic acid, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (1R-trans)- (9CI)Cyclopentanecarboxylic acid, 3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (1S-trans)- (9CI)2-Cyclopentene-1-carboxylicacid,4-amino-,(1R-trans)-(9CI)

Additional notes

DefinitionChEBI: (+)-TACP is an organooxygen compound and an organonitrogen compound. It is functionally related to a gamma-amino acid.

Related reactions

1 records

New reaction record

HRID 1483839As reactantuspto-grants-2016_08

Compound notes

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