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

C14H11BrN2O3 — CID 103804582

IUPAC(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C14H11BrN2O3/c15-10-6-7-11(16-8-10)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
InChIKeyXQTQGAZWNXINEW-LBPRGKRZSA-N
MW335.16 g/mol
LogP2.40
Rot. Bonds4

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

(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid (PubChem CID 103804582) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid
PubChem CID103804582
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C14H11BrN2O3/c15-10-6-7-11(16-8-10)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
InChIKeyXQTQGAZWNXINEW-LBPRGKRZSA-N
XLogP2.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide
CID 76978921
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62958073
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 55154383
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
2-[[1-(4-bromophenyl)pyrazole-3-carbonyl]amino]-2-phenylacetic acid
CID 154877134
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 94903176
2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid
CID 110835169
(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107971317
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 30071507
2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107938463

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid (CID 103804582) is (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid is O=C(N[C@H](C(=O)O)c1ccccc1)c1ccc(Br)cn1.
What is the InChIKey of (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is XQTQGAZWNXINEW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-10-6-7-11(16-8-10)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-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid?
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 335.16 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 103804582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).