(2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid

C14H19NO5S — CID 41119776

IUPAC(2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)C(=O)O
InChIInChI=1S/C14H19NO5S/c1-9(2)8-11(14(17)18)15-13(16)10-6-4-5-7-12(10)21(3,19)20/h4-7,9,11H,8H2,1-3H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyOFPHYNUKDPHRPT-LLVKDONJSA-N
MW313.38 g/mol
LogP1.32
Rot. Bonds6

About (2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid

(2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid (PubChem CID 41119776) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid
PubChem CID41119776
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name(2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)C(=O)O
InChIInChI=1S/C14H19NO5S/c1-9(2)8-11(14(17)18)15-13(16)10-6-4-5-7-12(10)21(3,19)20/h4-7,9,11H,8H2,1-3H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyOFPHYNUKDPHRPT-LLVKDONJSA-N
XLogP1.32
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119364001
(2S)-2-[[(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 46930259
(2R)-4-methyl-2-[(2-propan-2-ylsulfanylbenzoyl)amino]pentanoic acid
CID 119363699
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
3-hydroxy-2-[[2-(tribromomethylsulfonyl)benzoyl]amino]propanoic acid
CID 18717058
4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4974681
2-methylsulfonyl-N-pentan-3-ylbenzamide
CID 16625808
3-[(2-methylsulfonylbenzoyl)amino]-3-phenylpropanoic acid
CID 45461472
2-[[2-[(1-carboxy-3-methylbutyl)sulfamoyl]phenyl]sulfonylamino]-4-methylpentanoic acid
CID 24761708
(2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid
CID 119363334
2-[(2-propylsulfonylbenzoyl)amino]butanoic acid
CID 119224038
(2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 167810272

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid (CID 41119776) is (2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid is CC(C)C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid?
The InChIKey is OFPHYNUKDPHRPT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-9(2)8-11(14(17)18)15-13(16)10-6-4-5-7-12(10)21(3,19)20/h4-7,9,11H,8H2,1-3H3,(H,15,16)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid has a molecular weight of 313.38 g/mol, XLogP of 1.32, 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-methylsulfonylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 41119776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).