4-aminocyclopentene-1-carboxylic acid;hydrochloride

C6H10ClNO2 — CID 12645057

IUPAC4-aminocyclopentene-1-carboxylic acid;hydrochloride
SMILESCl.NC1CC=C(C(=O)O)C1
InChIInChI=1S/C6H9NO2.ClH/c7-5-2-1-4(3-5)6(8)9;/h1,5H,2-3,7H2,(H,8,9);1H
InChIKeyWTWQZUZOWIWNTO-UHFFFAOYSA-N
MW163.60 g/mol
LogP0.54
Rot. Bonds1

About 4-aminocyclopentene-1-carboxylic acid;hydrochloride

4-aminocyclopentene-1-carboxylic acid;hydrochloride (PubChem CID 12645057) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is 4-aminocyclopentene-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-aminocyclopentene-1-carboxylic acid;hydrochloride
PubChem CID12645057
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name4-aminocyclopentene-1-carboxylic acid;hydrochloride
SMILESCl.NC1CC=C(C(=O)O)C1
InChIInChI=1S/C6H9NO2.ClH/c7-5-2-1-4(3-5)6(8)9;/h1,5H,2-3,7H2,(H,8,9);1H
InChIKeyWTWQZUZOWIWNTO-UHFFFAOYSA-N
XLogP0.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-aminocyclopentene-1-carboxylic acid;hydrochloride
CID 155905079
(4S)-4-aminocyclopentene-1-carboxylic acid
CID 12645058
(1R,6S)-7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carboxylic acid
CID 71367079
4-amino-N-(thiolan-3-yl)cyclopentene-1-carboxamide
CID 164650312
4-acetyl-5-ethylcyclohexene-1-carboxylic acid
CID 170391477
(4R,5R)-5-(carboxymethoxy)-4-hydroxycyclohexene-1-carboxylic acid
CID 11171941
4-acetyl-5-methoxycyclohexene-1-carboxylic acid
CID 163901559
(3R,4R,5S)-4,5-diamino-3-hydroxycyclohexene-1-carboxylic acid
CID 68821914
4-hydroxycyclohexene-1-carboxylic acid
CID 45116548
(4S,5S)-4-[(1S)-1-acetamido-2-ethylbutyl]-5-aminocyclohexene-1-carboxylic acid
CID 141315790
(3S)-3-chlorocyclobutene-1-carboxylic acid
CID 134533701
4-methylcycloheptene-1-carboxylic acid
CID 174263843

Frequently Asked Questions

What is the IUPAC name of 4-aminocyclopentene-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-aminocyclopentene-1-carboxylic acid;hydrochloride (CID 12645057) is 4-aminocyclopentene-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-aminocyclopentene-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-aminocyclopentene-1-carboxylic acid;hydrochloride is Cl.NC1CC=C(C(=O)O)C1.
What is the InChIKey of 4-aminocyclopentene-1-carboxylic acid;hydrochloride?
The InChIKey is WTWQZUZOWIWNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.ClH/c7-5-2-1-4(3-5)6(8)9;/h1,5H,2-3,7H2,(H,8,9);1H.
What are the key properties of 4-aminocyclopentene-1-carboxylic acid;hydrochloride?
4-aminocyclopentene-1-carboxylic acid;hydrochloride has a molecular weight of 163.60 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclopentene-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 12645057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).