(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid

C11H11N3O4 — CID 107834949

IUPAC(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid
SMILESN#Cc1ccc(C(=O)NCC[C@H](O)C(=O)O)nc1
InChIInChI=1S/C11H11N3O4/c12-5-7-1-2-8(14-6-7)10(16)13-4-3-9(15)11(17)18/h1-2,6,9,15H,3-4H2,(H,13,16)(H,17,18)/t9-/m0/s1
InChIKeyMDXPFTAZUVRGHE-VIFPVBQESA-N
MW249.23 g/mol
LogP-0.48
Rot. Bonds5

About (2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid

(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid (PubChem CID 107834949) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is (2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid
PubChem CID107834949
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid
SMILESN#Cc1ccc(C(=O)NCC[C@H](O)C(=O)O)nc1
InChIInChI=1S/C11H11N3O4/c12-5-7-1-2-8(14-6-7)10(16)13-4-3-9(15)11(17)18/h1-2,6,9,15H,3-4H2,(H,13,16)(H,17,18)/t9-/m0/s1
InChIKeyMDXPFTAZUVRGHE-VIFPVBQESA-N
XLogP-0.48
TPSA123.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166460
5-cyano-N-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157
5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide
CID 103877415
4-[(4-cyanobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832074
5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
CID 114504454
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909
N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
CID 103896383
5-cyano-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 63719383
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid
CID 82016813
5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
CID 63716783

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid (CID 107834949) is (2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid is N#Cc1ccc(C(=O)NCC[C@H](O)C(=O)O)nc1.
What is the InChIKey of (2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid?
The InChIKey is MDXPFTAZUVRGHE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11N3O4/c12-5-7-1-2-8(14-6-7)10(16)13-4-3-9(15)11(17)18/h1-2,6,9,15H,3-4H2,(H,13,16)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid?
(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid has a molecular weight of 249.23 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107834949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).