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

C11H20N2O3 — CID 66031566

IUPAC3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid
SMILESCCCC(N)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-2-3-9(12)10(14)13-8-5-4-7(6-8)11(15)16/h7-9H,2-6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeySPPWXICOKZRCBD-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.48
Rot. Bonds5

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

3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 66031566) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid
PubChem CID66031566
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid
SMILESCCCC(N)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-2-3-9(12)10(14)13-8-5-4-7(6-8)11(15)16/h7-9H,2-6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeySPPWXICOKZRCBD-UHFFFAOYSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322988
cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 106322701
cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173473
3-(2-aminopentanoylamino)cyclohexane-1-carboxamide
CID 119309150
2-amino-N-(4-aminocyclohexyl)pentanamide
CID 62319442
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
2-amino-N-(4-propan-2-ylcyclohexyl)pentanamide
CID 119339852
(2R)-2-amino-N-(1,2-dimethylpiperidin-4-yl)pentanamide
CID 103814653
(2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide
CID 107145708
cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322997
4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid
CID 82985549
cis-(1R,3S)-3-[(3-amino-2-methylbutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106322641

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid (CID 66031566) is 3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid is CCCC(N)C(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is SPPWXICOKZRCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-3-9(12)10(14)13-8-5-4-7(6-8)11(15)16/h7-9H,2-6,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid?
3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).