(4S)-4-aminocyclopentene-1-carboxylic acid

C6H9NO2 — CID 12645058

IUPAC(4S)-4-aminocyclopentene-1-carboxylic acid
SMILESN[C@H]1CC=C(C(=O)O)C1
InChIInChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1,5H,2-3,7H2,(H,8,9)/t5-/m0/s1
InChIKeyCVVDYLXTNDBWJC-YFKPBYRVSA-N
MW127.14 g/mol
LogP0.12
Rot. Bonds1

About (4S)-4-aminocyclopentene-1-carboxylic acid

(4S)-4-aminocyclopentene-1-carboxylic acid (PubChem CID 12645058) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (4S)-4-aminocyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-aminocyclopentene-1-carboxylic acid
PubChem CID12645058
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(4S)-4-aminocyclopentene-1-carboxylic acid
SMILESN[C@H]1CC=C(C(=O)O)C1
InChIInChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1,5H,2-3,7H2,(H,8,9)/t5-/m0/s1
InChIKeyCVVDYLXTNDBWJC-YFKPBYRVSA-N
XLogP0.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-aminocyclopentene-1-carboxylic acid;hydrochloride
CID 155905079
4-aminocyclopentene-1-carboxylic acid;hydrochloride
CID 12645057
(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
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
(3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid
CID 169171272

Frequently Asked Questions

What is the IUPAC name of (4S)-4-aminocyclopentene-1-carboxylic acid?
The IUPAC name of (4S)-4-aminocyclopentene-1-carboxylic acid (CID 12645058) is (4S)-4-aminocyclopentene-1-carboxylic acid.
What is the SMILES notation for (4S)-4-aminocyclopentene-1-carboxylic acid?
The canonical SMILES for (4S)-4-aminocyclopentene-1-carboxylic acid is N[C@H]1CC=C(C(=O)O)C1.
What is the InChIKey of (4S)-4-aminocyclopentene-1-carboxylic acid?
The InChIKey is CVVDYLXTNDBWJC-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1,5H,2-3,7H2,(H,8,9)/t5-/m0/s1.
What are the key properties of (4S)-4-aminocyclopentene-1-carboxylic acid?
(4S)-4-aminocyclopentene-1-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-aminocyclopentene-1-carboxylic acid is sourced from PubChem (CID 12645058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).