4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid

C10H12ClNO3S — CID 80645329

IUPAC4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1sccc1Cl
InChIInChI=1S/C10H12ClNO3S/c1-6(2-3-8(13)14)12-10(15)9-7(11)4-5-16-9/h4-6H,2-3H2,1H3,(H,12,15)(H,13,14)
InChIKeyIVWJWPLCCGPSQB-UHFFFAOYSA-N
MW261.73 g/mol
LogP2.38
Rot. Bonds5

About 4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid

4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid (PubChem CID 80645329) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is 4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
PubChem CID80645329
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1sccc1Cl
InChIInChI=1S/C10H12ClNO3S/c1-6(2-3-8(13)14)12-10(15)9-7(11)4-5-16-9/h4-6H,2-3H2,1H3,(H,12,15)(H,13,14)
InChIKeyIVWJWPLCCGPSQB-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 83186616
(4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 95332881
(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 107564389
4-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063453
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 80642584
N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide
CID 114316213
5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 80645328
3-[(3-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid
CID 80645417
3-[4-[(3-chlorothiophene-2-carbonyl)amino]phenyl]butanoic acid
CID 104501782
methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate
CID 80641746
diethyl 2-[(3-chlorothiophene-2-carbonyl)amino]propanedioate
CID 80642748
4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120534870

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid (CID 80645329) is 4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid is CC(CCC(=O)O)NC(=O)c1sccc1Cl.
What is the InChIKey of 4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid?
The InChIKey is IVWJWPLCCGPSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-6(2-3-8(13)14)12-10(15)9-7(11)4-5-16-9/h4-6H,2-3H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid?
4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid has a molecular weight of 261.73 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 80645329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).