3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid

C9H16N2O3 — CID 66033141

IUPAC3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(N)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-5(10)8(12)11-7-3-2-6(4-7)9(13)14/h5-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyNONSZBWHPWIQEL-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.30
Rot. Bonds3

About 3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid

3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 66033141) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
PubChem CID66033141
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(N)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-5(10)8(12)11-7-3-2-6(4-7)9(13)14/h5-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyNONSZBWHPWIQEL-UHFFFAOYSA-N
XLogP-0.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322997
cis-(1R,3S)-3-[(3-amino-2-methylbutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106322641
cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173473
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide
CID 78999327
cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 106322701
(2R)-2-amino-N-[(1S,3R,4R)-4-hydroxy-3-methylcyclohexyl]propanamide
CID 58369464
(2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide
CID 58369453
cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid
CID 120690503
cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322988
3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 66031566
3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid
CID 103513356
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid (CID 66033141) is 3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid is CC(N)C(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is NONSZBWHPWIQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5(10)8(12)11-7-3-2-6(4-7)9(13)14/h5-7H,2-4,10H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid?
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66033141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).