4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid

C14H19NO3S — CID 82348678

IUPAC4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid
SMILESO=C(O)CCC(NC1CCCC1)C(=O)c1cccs1
InChIInChI=1S/C14H19NO3S/c16-13(17)8-7-11(15-10-4-1-2-5-10)14(18)12-6-3-9-19-12/h3,6,9-11,15H,1-2,4-5,7-8H2,(H,16,17)
InChIKeyNMLXNCQRHPFOMM-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.70
Rot. Bonds7

About 4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid

4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid (PubChem CID 82348678) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid.

Molecular Properties

Compound Name4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid
PubChem CID82348678
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid
SMILESO=C(O)CCC(NC1CCCC1)C(=O)c1cccs1
InChIInChI=1S/C14H19NO3S/c16-13(17)8-7-11(15-10-4-1-2-5-10)14(18)12-6-3-9-19-12/h3,6,9-11,15H,1-2,4-5,7-8H2,(H,16,17)
InChIKeyNMLXNCQRHPFOMM-UHFFFAOYSA-N
XLogP2.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic 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

(4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid
CID 67333173
(4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid
CID 67336025
3-(cyclooctylamino)-3-thiophen-2-ylpropanoic acid
CID 43727644
4-(cyclooctylamino)-5-phenylpentanoic acid
CID 122046085
[3-(cyclopentylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83999954
N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511039
[3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83997879
N-[(1R)-2,2,2-trichloro-1-(cyclohexylamino)ethyl]thiophene-2-carboxamide
CID 1100413
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
N-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide
CID 110346795
1-[3-(methylamino)piperidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119487436
N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide
CID 82119541

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid?
The IUPAC name of 4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid (CID 82348678) is 4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid.
What is the SMILES notation for 4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid?
The canonical SMILES for 4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid is O=C(O)CCC(NC1CCCC1)C(=O)c1cccs1.
What is the InChIKey of 4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid?
The InChIKey is NMLXNCQRHPFOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-13(17)8-7-11(15-10-4-1-2-5-10)14(18)12-6-3-9-19-12/h3,6,9-11,15H,1-2,4-5,7-8H2,(H,16,17).
What are the key properties of 4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid?
4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid has a molecular weight of 281.38 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid is sourced from PubChem (CID 82348678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).