4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid

C10H10ClN3O4 — CID 43240154

IUPAC4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)c1ccc(Cl)nc1)C(=O)O
InChIInChI=1S/C10H10ClN3O4/c11-7-2-1-5(4-13-7)9(16)14-6(10(17)18)3-8(12)15/h1-2,4,6H,3H2,(H2,12,15)(H,14,16)(H,17,18)
InChIKeyUVWGDYHTDAKJMG-UHFFFAOYSA-N
MW271.66 g/mol
LogP-0.21
Rot. Bonds5

About 4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid

4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 43240154) has the molecular formula C10H10ClN3O4 and a molecular weight of 271.66 g/mol. Its IUPAC name is 4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid
PubChem CID43240154
Molecular FormulaC10H10ClN3O4
Molecular Weight271.66 g/mol
Exact Mass271.04
IUPAC Name4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)c1ccc(Cl)nc1)C(=O)O
InChIInChI=1S/C10H10ClN3O4/c11-7-2-1-5(4-13-7)9(16)14-6(10(17)18)3-8(12)15/h1-2,4,6H,3H2,(H2,12,15)(H,14,16)(H,17,18)
InChIKeyUVWGDYHTDAKJMG-UHFFFAOYSA-N
XLogP-0.21
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.66
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide
CID 115664808
(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 7062801
4-amino-4-oxo-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]butanoic acid
CID 43638813
(2S)-4-amino-2-[(4-amino-3-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 103870110
4-amino-2-[(4-iodobenzoyl)amino]-4-oxobutanoic acid
CID 43084996
(2R)-4-amino-2-[(4-chloro-3-fluorobenzoyl)amino]-4-oxobutanoic acid
CID 107998151
(2R)-4-amino-2-[(3-chloro-4-iodobenzoyl)amino]-4-oxobutanoic acid
CID 114004761
(2S)-4-amino-4-oxo-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 63714065
methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate
CID 51681559
2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 43091866
4-amino-2-[(6-chloropyridine-2-carbonyl)amino]-4-oxobutanoic acid
CID 62238713
(2S)-2-[(6-chloropyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93303062

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid (CID 43240154) is 4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid is NC(=O)CC(NC(=O)c1ccc(Cl)nc1)C(=O)O.
What is the InChIKey of 4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is UVWGDYHTDAKJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O4/c11-7-2-1-5(4-13-7)9(16)14-6(10(17)18)3-8(12)15/h1-2,4,6H,3H2,(H2,12,15)(H,14,16)(H,17,18).
What are the key properties of 4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid?
4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 271.66 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 43240154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).