2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid

C13H17NO5S — CID 82324463

IUPAC2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CCC(=O)O)C(=O)c1cccs1
InChIInChI=1S/C13H17NO5S/c1-2-4-9(13(18)19)14(7-6-11(15)16)12(17)10-5-3-8-20-10/h3,5,8-9H,2,4,6-7H2,1H3,(H,15,16)(H,18,19)
InChIKeyAAFDQZQMSBXFEW-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.92
Rot. Bonds8

About 2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid

2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid (PubChem CID 82324463) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid
PubChem CID82324463
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CCC(=O)O)C(=O)c1cccs1
InChIInChI=1S/C13H17NO5S/c1-2-4-9(13(18)19)14(7-6-11(15)16)12(17)10-5-3-8-20-10/h3,5,8-9H,2,4,6-7H2,1H3,(H,15,16)(H,18,19)
InChIKeyAAFDQZQMSBXFEW-UHFFFAOYSA-N
XLogP1.92
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic 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

3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324429
N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704675
N-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 80666303
3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324441
2-methyl-3-[pentyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324480
(2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 107563695
2-propyl-1,3-dithiophen-2-ylpropane-1,3-dione
CID 132603517
N,N-diethylthiophene-2-carboxamide
CID 962897
(2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid
CID 107144518
4-oxo-2-(thiophene-2-carbonyl)heptanoic acid
CID 68665065
3-[ethyl-[2-(thiophene-2-carbonyl)benzoyl]amino]propanoic acid
CID 100650340
2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid
CID 79491922

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid (CID 82324463) is 2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid is CCCC(C(=O)O)N(CCC(=O)O)C(=O)c1cccs1.
What is the InChIKey of 2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid?
The InChIKey is AAFDQZQMSBXFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-2-4-9(13(18)19)14(7-6-11(15)16)12(17)10-5-3-8-20-10/h3,5,8-9H,2,4,6-7H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid?
2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid has a molecular weight of 299.35 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 82324463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).