(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid

C14H13N3O3 — CID 30114448

IUPAC(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
SMILESCc1cnc(C(=O)N[C@H](C(=O)O)c2ccccc2)cn1
InChIInChI=1S/C14H13N3O3/c1-9-7-16-11(8-15-9)13(18)17-12(14(19)20)10-5-3-2-4-6-10/h2-8,12H,1H3,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyWBSDGRLTJGCEQM-LBPRGKRZSA-N
MW271.28 g/mol
LogP1.34
Rot. Bonds4

About (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid

(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid (PubChem CID 30114448) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
PubChem CID30114448
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
SMILESCc1cnc(C(=O)N[C@H](C(=O)O)c2ccccc2)cn1
InChIInChI=1S/C14H13N3O3/c1-9-7-16-11(8-15-9)13(18)17-12(14(19)20)10-5-3-2-4-6-10/h2-8,12H,1H3,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyWBSDGRLTJGCEQM-LBPRGKRZSA-N
XLogP1.34
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 42929264
N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide
CID 129102829
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 30071507
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 103804582
5-methyl-N-(2-phenylpropyl)pyrazine-2-carboxamide
CID 18209356
5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
CID 95595921
(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-2-phenylacetic acid
CID 107971318
2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 106752480
2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid
CID 110835169
N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111471624
5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 47161122
5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 42783473

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid (CID 30114448) is (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid is Cc1cnc(C(=O)N[C@H](C(=O)O)c2ccccc2)cn1.
What is the InChIKey of (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is WBSDGRLTJGCEQM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-7-16-11(8-15-9)13(18)17-12(14(19)20)10-5-3-2-4-6-10/h2-8,12H,1H3,(H,17,18)(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid?
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 271.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 30114448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).