4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid

C11H15N3O4 — CID 103157050

IUPAC4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)c1ncccc1N)CC(=O)O
InChIInChI=1S/C11H15N3O4/c1-18-7(5-9(15)16)6-14-11(17)10-8(12)3-2-4-13-10/h2-4,7H,5-6,12H2,1H3,(H,14,17)(H,15,16)
InChIKeyVSGLZXVZDFZHAC-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.12
Rot. Bonds6

About 4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid

4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid (PubChem CID 103157050) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid
PubChem CID103157050
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)c1ncccc1N)CC(=O)O
InChIInChI=1S/C11H15N3O4/c1-18-7(5-9(15)16)6-14-11(17)10-8(12)3-2-4-13-10/h2-4,7H,5-6,12H2,1H3,(H,14,17)(H,15,16)
InChIKeyVSGLZXVZDFZHAC-UHFFFAOYSA-N
XLogP-0.12
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid
CID 103152963
(3S)-3-[[(3-aminopyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 104742465
3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid
CID 103152748
3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide
CID 130551892
3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 104742724
3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid
CID 104742756
3-amino-N-(2-phenylpropyl)pyridine-2-carboxamide
CID 104742039
3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid
CID 104742758
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175
3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 103153354

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid (CID 103157050) is 4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid is COC(CNC(=O)c1ncccc1N)CC(=O)O.
What is the InChIKey of 4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid?
The InChIKey is VSGLZXVZDFZHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-18-7(5-9(15)16)6-14-11(17)10-8(12)3-2-4-13-10/h2-4,7H,5-6,12H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid?
4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103157050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).