(2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid

C13H12N2O4 — CID 103804634

IUPAC(2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid
SMILESCc1cnoc1C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H12N2O4/c1-8-7-14-19-11(8)12(16)15-10(13(17)18)9-5-3-2-4-6-9/h2-7,10H,1H3,(H,15,16)(H,17,18)/t10-/m0/s1
InChIKeyDBHOQBXCTUPQHH-JTQLQIEISA-N
MW260.25 g/mol
LogP1.54
Rot. Bonds4

About (2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid

(2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid (PubChem CID 103804634) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid
PubChem CID103804634
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name(2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid
SMILESCc1cnoc1C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H12N2O4/c1-8-7-14-19-11(8)12(16)15-10(13(17)18)9-5-3-2-4-6-9/h2-7,10H,1H3,(H,15,16)(H,17,18)/t10-/m0/s1
InChIKeyDBHOQBXCTUPQHH-JTQLQIEISA-N
XLogP1.54
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid
CID 66335537
(2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid
CID 28778678
2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid
CID 110835169
3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 81076607
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid
CID 30123282
(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 103804548
methyl 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetate
CID 62109188
2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
CID 90451481
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 30071507
4-methyl-N-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 66335896
(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 62828688

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid (CID 103804634) is (2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid is Cc1cnoc1C(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is DBHOQBXCTUPQHH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-7-14-19-11(8)12(16)15-10(13(17)18)9-5-3-2-4-6-9/h2-7,10H,1H3,(H,15,16)(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid?
(2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 260.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 103804634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).