(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid

C10H12ClNO3S — CID 79011308

IUPAC(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C10H12ClNO3S/c1-5(2)8(10(14)15)12-9(13)6-3-4-7(11)16-6/h3-5,8H,1-2H3,(H,12,13)(H,14,15)/t8-/m1/s1
InChIKeyWKJXYFPFWMQJMB-MRVPVSSYSA-N
MW261.73 g/mol
LogP2.24
Rot. Bonds4

About (2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid

(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 79011308) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is (2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
PubChem CID79011308
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C10H12ClNO3S/c1-5(2)8(10(14)15)12-9(13)6-3-4-7(11)16-6/h3-5,8H,1-2H3,(H,12,13)(H,14,15)/t8-/m1/s1
InChIKeyWKJXYFPFWMQJMB-MRVPVSSYSA-N
XLogP2.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclopentylthiophene-2-carboxamide
CID 1244060
Ethyl (5-chlorothiophene-2-carbonyl)glycinate
CID 2225367
N-[(5-Chloro-2-thienyl)carbonyl]glycine
CID 43239030
Thenoyl methionate
CID 40542948
3-Methyl-2-((thiophen-2-yl)formamido)butanoic acid
CID 2771110
methyl (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 22212225
1-(5-Chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 22557517
5-chloro-N-ethylthiophene-2-carboxamide
CID 667834
(((3-Chloro-2-thienyl)carbonyl)amino)acetic acid
CID 24212758
4-(5-Chlorothiophene-2-carbonyl)-3-methylpiperazin-2-one
CID 44116482
5-chloro-N-[2-hydroxy-2-methyl-4-(methylsulfanyl)butyl]thiophene-2-carboxamide
CID 71787284
2-[(5-Chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 16355866

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid (CID 79011308) is (2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is WKJXYFPFWMQJMB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-5(2)8(10(14)15)12-9(13)6-3-4-7(11)16-6/h3-5,8H,1-2H3,(H,12,13)(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 261.73 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 79011308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).