(2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid

C15H16N2O3S — CID 119368095

IUPAC(2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1cc(-c2ccccc2)ns1)C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-9(2)13(15(19)20)16-14(18)12-8-11(17-21-12)10-6-4-3-5-7-10/h3-9,13H,1-2H3,(H,16,18)(H,19,20)/t13-/m1/s1
InChIKeyHKLAVFYLIZQQDS-CYBMUJFWSA-N
MW304.37 g/mol
LogP2.65
Rot. Bonds5

About (2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid

(2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid (PubChem CID 119368095) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid
PubChem CID119368095
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name(2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1cc(-c2ccccc2)ns1)C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-9(2)13(15(19)20)16-14(18)12-8-11(17-21-12)10-6-4-3-5-7-10/h3-9,13H,1-2H3,(H,16,18)(H,19,20)/t13-/m1/s1
InChIKeyHKLAVFYLIZQQDS-CYBMUJFWSA-N
XLogP2.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride
CID 120826646
(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61137160
3-methyl-2-[(5-phenyl-1H-pyrrole-2-carbonyl)amino]butanoic acid
CID 119170464
(2S)-2-[(3-iodobenzoyl)amino]-3-methylbutanoic acid
CID 28831811
(2S)-2-[(5-acetylthiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 119360555
3-methyl-2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 119170236
(2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 119369536
(2S,3R)-3-hydroxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 104964742
(2R)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 79010793
(2S)-2-[(5-iodothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 79684876
(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 61137175
3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119348382

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid (CID 119368095) is (2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid is CC(C)[C@@H](NC(=O)c1cc(-c2ccccc2)ns1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid?
The InChIKey is HKLAVFYLIZQQDS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9(2)13(15(19)20)16-14(18)12-8-11(17-21-12)10-6-4-3-5-7-10/h3-9,13H,1-2H3,(H,16,18)(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid?
(2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid has a molecular weight of 304.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119368095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).