(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid

C16H18N2O3S — CID 92928991

IUPAC(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C16H18N2O3S/c1-10(2)8-12(16(20)21)17-14(19)13-9-22-15(18-13)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyYPRVQECNBRDTNV-GFCCVEGCSA-N
MW318.40 g/mol
LogP3.04
Rot. Bonds6

About (2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid

(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid (PubChem CID 92928991) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
PubChem CID92928991
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C16H18N2O3S/c1-10(2)8-12(16(20)21)17-14(19)13-9-22-15(18-13)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyYPRVQECNBRDTNV-GFCCVEGCSA-N
XLogP3.04
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[[2-(4-nitrophenyl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119188692
(2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119363475
(2R)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-3-sulfanylpropanoic acid
CID 71417855
(2R)-4-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119363400
4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199945
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 79036145
(2S)-4-methyl-2-[[2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695454
(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363922
(2S)-2-[[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366724
2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9457088
3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43357798

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid (CID 92928991) is (2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid is CC(C)C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is YPRVQECNBRDTNV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10(2)8-12(16(20)21)17-14(19)13-9-22-15(18-13)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,17,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 318.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 92928991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).