(2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid

C16H14N2O5 — CID 155969180

IUPAC(2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid
SMILESO=C(O)C[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C16H14N2O5/c19-14(20)9-13(16(22)23)18-15(21)12-8-4-7-11(17-12)10-5-2-1-3-6-10/h1-8,13H,9H2,(H,18,21)(H,19,20)(H,22,23)/t13-/m1/s1
InChIKeyREAPYZGMQAURTQ-CYBMUJFWSA-N
MW314.30 g/mol
LogP1.41
Rot. Bonds6

About (2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid

(2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid (PubChem CID 155969180) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is (2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid
PubChem CID155969180
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name(2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid
SMILESO=C(O)C[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C16H14N2O5/c19-14(20)9-13(16(22)23)18-15(21)12-8-4-7-11(17-12)10-5-2-1-3-6-10/h1-8,13H,9H2,(H,18,21)(H,19,20)(H,22,23)/t13-/m1/s1
InChIKeyREAPYZGMQAURTQ-CYBMUJFWSA-N
XLogP1.41
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(6-fluoropyridine-2-carbonyl)amino]butanedioic acid
CID 115496524
(2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid
CID 170211571
(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid
CID 45142211
(3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid
CID 90093169
4-amino-2-[(6-chloropyridine-2-carbonyl)amino]-4-oxobutanoic acid
CID 62238713
(2S)-2-[[6-(4-methylsulfonylphenyl)pyridine-2-carbonyl]amino]-3-(4-phenylcyclohexa-1,3-dien-1-yl)propanoic acid
CID 142862187
5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid
CID 56668079
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30075662
(2S)-2-[(2-hydroxybenzoyl)amino]butanedioic acid
CID 3043783
[(1R)-1-[[(2S,3S)-3-hydroxy-2-[(6-phenylpyridine-2-carbonyl)amino]butanoyl]amino]-3-methylbutyl]boronic acid
CID 124645820
2-[(6-methylpyridine-2-carbonyl)amino]-3-sulfanylpropanoic acid
CID 16794367
[1-[[3-hydroxy-2-[(6-phenylpyridine-2-carbonyl)amino]butanoyl]amino]-3-methylbutan-2-yl]boronic acid
CID 76635864

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid?
The IUPAC name of (2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid (CID 155969180) is (2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid.
What is the SMILES notation for (2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid?
The canonical SMILES for (2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid is O=C(O)C[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of (2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid?
The InChIKey is REAPYZGMQAURTQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14N2O5/c19-14(20)9-13(16(22)23)18-15(21)12-8-4-7-11(17-12)10-5-2-1-3-6-10/h1-8,13H,9H2,(H,18,21)(H,19,20)(H,22,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid?
(2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid has a molecular weight of 314.30 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid is sourced from PubChem (CID 155969180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).