2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid

C10H11Cl2NO3S — CID 103628563

IUPAC2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)c1cc(Cl)sc1Cl)C(=O)O
InChIInChI=1S/C10H11Cl2NO3S/c1-4(2)7(10(15)16)13-9(14)5-3-6(11)17-8(5)12/h3-4,7H,1-2H3,(H,13,14)(H,15,16)
InChIKeyZHORJANVAKGIDN-UHFFFAOYSA-N
MW296.18 g/mol
LogP2.89
Rot. Bonds4

About 2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid

2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 103628563) has the molecular formula C10H11Cl2NO3S and a molecular weight of 296.18 g/mol. Its IUPAC name is 2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid
PubChem CID103628563
Molecular FormulaC10H11Cl2NO3S
Molecular Weight296.18 g/mol
Exact Mass294.98
IUPAC Name2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)c1cc(Cl)sc1Cl)C(=O)O
InChIInChI=1S/C10H11Cl2NO3S/c1-4(2)7(10(15)16)13-9(14)5-3-6(11)17-8(5)12/h3-4,7H,1-2H3,(H,13,14)(H,15,16)
InChIKeyZHORJANVAKGIDN-UHFFFAOYSA-N
XLogP2.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
CID 17409200
2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 120513273
2-[(2,5-dichlorothiophene-3-carbonyl)amino]butanedioic acid
CID 114020996
2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide
CID 106354736
2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106683293
(2R)-2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]-3-methylbutanoic acid
CID 119368098
2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
CID 43185169
(2R)-2-[(2-chloro-4-methylbenzoyl)amino]-3-methylbutanoic acid
CID 106860616
2-[(3,5-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 16773523
(2S)-2-[(2,4-dichloro-5-methylsulfanylbenzoyl)amino]-3-methylbutanoic acid
CID 119360130
(2S)-2-[(5-chloro-2-iodobenzoyl)amino]-3-methylbutanoic acid
CID 103804174
ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate
CID 47069930

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid (CID 103628563) is 2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid is CC(C)C(NC(=O)c1cc(Cl)sc1Cl)C(=O)O.
What is the InChIKey of 2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is ZHORJANVAKGIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3S/c1-4(2)7(10(15)16)13-9(14)5-3-6(11)17-8(5)12/h3-4,7H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid?
2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 296.18 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 103628563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).