5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid

C16H28N2O3 — CID 125441266

IUPAC5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC[C@@H]1CCCN(C2CCCC2)C1
InChIInChI=1S/C16H28N2O3/c19-15(8-3-9-16(20)21)17-11-13-5-4-10-18(12-13)14-6-1-2-7-14/h13-14H,1-12H2,(H,17,19)(H,20,21)/t13-/m0/s1
InChIKeyFHLWSMUNLILHDW-ZDUSSCGKSA-N
MW296.41 g/mol
LogP2.01
Rot. Bonds7

About 5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid

5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid (PubChem CID 125441266) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid
PubChem CID125441266
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC[C@@H]1CCCN(C2CCCC2)C1
InChIInChI=1S/C16H28N2O3/c19-15(8-3-9-16(20)21)17-11-13-5-4-10-18(12-13)14-6-1-2-7-14/h13-14H,1-12H2,(H,17,19)(H,20,21)/t13-/m0/s1
InChIKeyFHLWSMUNLILHDW-ZDUSSCGKSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 121494274
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 54927021
6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid
CID 60856961
2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208
5-(cyclobutylmethylamino)-5-oxopentanoic acid
CID 43529068
3-(1-cyclooctylpiperidin-3-yl)propanoic acid
CID 65071973
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
CID 125446366
N-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide
CID 95225748
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
2-(1-cycloheptylpiperidin-3-yl)acetic acid
CID 65060458
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide
CID 60859292
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-methoxyacetamide;formic acid
CID 154907735

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid (CID 125441266) is 5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NC[C@@H]1CCCN(C2CCCC2)C1.
What is the InChIKey of 5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid?
The InChIKey is FHLWSMUNLILHDW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H28N2O3/c19-15(8-3-9-16(20)21)17-11-13-5-4-10-18(12-13)14-6-1-2-7-14/h13-14H,1-12H2,(H,17,19)(H,20,21)/t13-/m0/s1.
What are the key properties of 5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid?
5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid has a molecular weight of 296.41 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 125441266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).