2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid

C14H20N2O4S — CID 43469860

IUPAC2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid
SMILESCCCCC(NC(=O)CCNC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C14H20N2O4S/c1-2-3-5-10(14(19)20)16-12(17)7-8-15-13(18)11-6-4-9-21-11/h4,6,9-10H,2-3,5,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyIGVXNVIVSVBSPT-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.63
Rot. Bonds9

About 2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid

2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid (PubChem CID 43469860) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid.

Molecular Properties

Compound Name2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid
PubChem CID43469860
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid
SMILESCCCCC(NC(=O)CCNC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C14H20N2O4S/c1-2-3-5-10(14(19)20)16-12(17)7-8-15-13(18)11-6-4-9-21-11/h4,6,9-10H,2-3,5,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyIGVXNVIVSVBSPT-UHFFFAOYSA-N
XLogP1.63
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic 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

(2R)-4-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]butanoic acid
CID 107822711
(2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 107563695
2-methyl-5-[3-(thiophene-2-carbonylamino)propanoylamino]pentanoic acid
CID 104682695
(2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid
CID 107144518
(2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid
CID 80748969
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
(2S)-2-[3-[(4-fluorobenzoyl)amino]propanoylamino]hexanoic acid
CID 120614023
(2S)-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]hexanoic acid
CID 120615307
(2S)-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]hexanoic acid
CID 120614324
N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 115770942
(2S,3R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]butanoic acid
CID 104964883
N-[4-(5-methylhexan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 78794704

Frequently Asked Questions

What is the IUPAC name of 2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid?
The IUPAC name of 2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid (CID 43469860) is 2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid.
What is the SMILES notation for 2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid?
The canonical SMILES for 2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid is CCCCC(NC(=O)CCNC(=O)c1cccs1)C(=O)O.
What is the InChIKey of 2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid?
The InChIKey is IGVXNVIVSVBSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-3-5-10(14(19)20)16-12(17)7-8-15-13(18)11-6-4-9-21-11/h4,6,9-10H,2-3,5,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid?
2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid has a molecular weight of 312.39 g/mol, XLogP of 1.63, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid is sourced from PubChem (CID 43469860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).