2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid

C10H18N2O3 — CID 64814362

IUPAC2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid
SMILESNCCCC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C10H18N2O3/c11-6-2-5-9(13)12-8-4-1-3-7(8)10(14)15/h7-8H,1-6,11H2,(H,12,13)(H,14,15)
InChIKeyYKWFEWHNPJDFCJ-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.09
Rot. Bonds5

About 2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid

2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 64814362) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid
PubChem CID64814362
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid
SMILESNCCCC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C10H18N2O3/c11-6-2-5-9(13)12-8-4-1-3-7(8)10(14)15/h7-8H,1-6,11H2,(H,12,13)(H,14,15)
InChIKeyYKWFEWHNPJDFCJ-UHFFFAOYSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminobutanoylamino)cyclohexane-1-carboxamide
CID 119334193
2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 64814365
2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid
CID 82851867
2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid
CID 64816609
2-(4-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 64812288
2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 64813718
4-amino-N-(2-aminocyclopropyl)butanamide
CID 131206952
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]hexanamide
CID 107221663
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-4-aminobutanamide;hydrochloride
CID 119345592
2-[(2-methoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 64814951
4-amino-N-(2,4-dimethylcyclohexyl)butanamide
CID 63997351
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 81322034

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid (CID 64814362) is 2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid is NCCCC(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is YKWFEWHNPJDFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-6-2-5-9(13)12-8-4-1-3-7(8)10(14)15/h7-8H,1-6,11H2,(H,12,13)(H,14,15).
What are the key properties of 2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid?
2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64814362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).