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

C11H13N3O5 — CID 105063070

IUPAC4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid
SMILESCOc1cnccc1C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C11H13N3O5/c1-19-8-5-13-3-2-6(8)10(16)14-7(11(17)18)4-9(12)15/h2-3,5,7H,4H2,1H3,(H2,12,15)(H,14,16)(H,17,18)
InChIKeyRDHZAUUJFKRRBI-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.85
Rot. Bonds6

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

4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 105063070) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid
PubChem CID105063070
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid
SMILESCOc1cnccc1C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C11H13N3O5/c1-19-8-5-13-3-2-6(8)10(16)14-7(11(17)18)4-9(12)15/h2-3,5,7H,4H2,1H3,(H2,12,15)(H,14,16)(H,17,18)
InChIKeyRDHZAUUJFKRRBI-UHFFFAOYSA-N
XLogP-0.85
TPSA131.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 105063148
(2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid
CID 64950275
2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 105063052
3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid
CID 105063292
(2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 107821307
4-amino-2-[(4-bromo-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 115368589
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 105063303
(2S)-2-[(3-methoxypyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 105063312
N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide
CID 105064640
3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid
CID 105063310
N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064527
3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide
CID 105063550

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid (CID 105063070) is 4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid is COc1cnccc1C(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is RDHZAUUJFKRRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-19-8-5-13-3-2-6(8)10(16)14-7(11(17)18)4-9(12)15/h2-3,5,7H,4H2,1H3,(H2,12,15)(H,14,16)(H,17,18).
What are the key properties of 4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid?
4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 267.24 g/mol, XLogP of -0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 105063070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).