(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid

C14H11ClN2O3 — CID 103804574

IUPAC(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1ccnc(Cl)c1
InChIInChI=1S/C14H11ClN2O3/c15-11-8-10(6-7-16-11)13(18)17-12(14(19)20)9-4-2-1-3-5-9/h1-8,12H,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyKQNZZJUYUFHMKR-LBPRGKRZSA-N
MW290.71 g/mol
LogP2.29
Rot. Bonds4

About (2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid

(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid (PubChem CID 103804574) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is (2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid
PubChem CID103804574
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1ccnc(Cl)c1
InChIInChI=1S/C14H11ClN2O3/c15-11-8-10(6-7-16-11)13(18)17-12(14(19)20)9-4-2-1-3-5-9/h1-8,12H,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyKQNZZJUYUFHMKR-LBPRGKRZSA-N
XLogP2.29
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 106752480
(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid
CID 29046743
(2S)-2-[(6-chloropyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93303062
2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
CID 45122335
2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid
CID 61157313
(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 103804548
2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide
CID 46520684
2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid
CID 103790725
2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide
CID 111472064
(2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid
CID 71458070
2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide
CID 134025883
(2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 107675151

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid (CID 103804574) is (2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid is O=C(N[C@H](C(=O)O)c1ccccc1)c1ccnc(Cl)c1.
What is the InChIKey of (2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is KQNZZJUYUFHMKR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-11-8-10(6-7-16-11)13(18)17-12(14(19)20)9-4-2-1-3-5-9/h1-8,12H,(H,17,18)(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid?
(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 290.71 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 103804574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).