(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid

C15H14N2O3 — CID 30071507

IUPAC(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
SMILESCc1cccc(C(=O)N[C@H](C(=O)O)c2ccccc2)n1
InChIInChI=1S/C15H14N2O3/c1-10-6-5-9-12(16-10)14(18)17-13(15(19)20)11-7-3-2-4-8-11/h2-9,13H,1H3,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyBZFJIXTVOBOHDP-ZDUSSCGKSA-N
MW270.29 g/mol
LogP1.95
Rot. Bonds4

About (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid

(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid (PubChem CID 30071507) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
PubChem CID30071507
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
SMILESCc1cccc(C(=O)N[C@H](C(=O)O)c2ccccc2)n1
InChIInChI=1S/C15H14N2O3/c1-10-6-5-9-12(16-10)14(18)17-13(15(19)20)11-7-3-2-4-8-11/h2-9,13H,1H3,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyBZFJIXTVOBOHDP-ZDUSSCGKSA-N
XLogP1.95
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63184440
(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 62828688
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
N-[2-(dimethylamino)-1-phenylethyl]-6-methylpyridine-2-carboxamide
CID 78845972
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30075662
3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62884347
2-[(6-methylpyridine-2-carbonyl)amino]-3-sulfanylpropanoic acid
CID 16794367
2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
(2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 103804690
N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 131183457
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 103804582

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid (CID 30071507) is (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid is Cc1cccc(C(=O)N[C@H](C(=O)O)c2ccccc2)n1.
What is the InChIKey of (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is BZFJIXTVOBOHDP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-6-5-9-12(16-10)14(18)17-13(15(19)20)11-7-3-2-4-8-11/h2-9,13H,1H3,(H,17,18)(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid?
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 270.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 30071507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).