(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid

C16H16N2O3 — CID 62828688

IUPAC(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
SMILESCc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)c(C)n1
InChIInChI=1S/C16H16N2O3/c1-10-8-9-13(11(2)17-10)15(19)18-14(16(20)21)12-6-4-3-5-7-12/h3-9,14H,1-2H3,(H,18,19)(H,20,21)/t14-/m1/s1
InChIKeyVWXOJVQHOPVJBX-CQSZACIVSA-N
MW284.31 g/mol
LogP2.25
Rot. Bonds4

About (2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid

(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid (PubChem CID 62828688) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
PubChem CID62828688
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
SMILESCc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)c(C)n1
InChIInChI=1S/C16H16N2O3/c1-10-8-9-13(11(2)17-10)15(19)18-14(16(20)21)12-6-4-3-5-7-12/h3-9,14H,1-2H3,(H,18,19)(H,20,21)/t14-/m1/s1
InChIKeyVWXOJVQHOPVJBX-CQSZACIVSA-N
XLogP2.25
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288203
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 30071507
N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide
CID 55875751
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 62828512
(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid
CID 30123282
2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
CID 90451481
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid
CID 43240578
2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 106752480
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]pentanedioic acid
CID 62828511
N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 80505709
2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide
CID 56827245
(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid
CID 104896991

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid (CID 62828688) is (2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid is Cc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)c(C)n1.
What is the InChIKey of (2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is VWXOJVQHOPVJBX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-8-9-13(11(2)17-10)15(19)18-14(16(20)21)12-6-4-3-5-7-12/h3-9,14H,1-2H3,(H,18,19)(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid?
(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 284.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 62828688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).