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

C10H12ClNO3S — CID 107564389

IUPAC(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1sccc1Cl)C(=O)O
InChIInChI=1S/C10H12ClNO3S/c1-2-3-7(10(14)15)12-9(13)8-6(11)4-5-16-8/h4-5,7H,2-3H2,1H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyJLPRAHLDKAVNQA-ZETCQYMHSA-N
MW261.73 g/mol
LogP2.38
Rot. Bonds5

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

(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid (PubChem CID 107564389) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is (2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
PubChem CID107564389
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1sccc1Cl)C(=O)O
InChIInChI=1S/C10H12ClNO3S/c1-2-3-7(10(14)15)12-9(13)8-6(11)4-5-16-8/h4-5,7H,2-3H2,1H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyJLPRAHLDKAVNQA-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid (CID 107564389) is (2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid is CCC[C@H](NC(=O)c1sccc1Cl)C(=O)O.
What is the InChIKey of (2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid?
The InChIKey is JLPRAHLDKAVNQA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-2-3-7(10(14)15)12-9(13)8-6(11)4-5-16-8/h4-5,7H,2-3H2,1H3,(H,12,13)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid?
(2S)-2-[(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 (2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107564389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).