4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid

C13H19N3O4 — CID 62480587

IUPAC4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
SMILESCOCCC(NC(=O)NC(C)c1ccccn1)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-9(10-5-3-4-7-14-10)15-13(19)16-11(12(17)18)6-8-20-2/h3-5,7,9,11H,6,8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyFFGDSKRFJHIJID-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.93
Rot. Bonds7

About 4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid

4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid (PubChem CID 62480587) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
PubChem CID62480587
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
SMILESCOCCC(NC(=O)NC(C)c1ccccn1)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-9(10-5-3-4-7-14-10)15-13(19)16-11(12(17)18)6-8-20-2/h3-5,7,9,11H,6,8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyFFGDSKRFJHIJID-UHFFFAOYSA-N
XLogP0.93
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 107566198
2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61198086
(2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 107826189
4-methoxy-2-(1-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 62480423
3-methyl-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61197140
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide
CID 81081653
1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94550940
1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94054970
(2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid
CID 107838423
2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid
CID 82731415

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid?
The IUPAC name of 4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid (CID 62480587) is 4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid?
The canonical SMILES for 4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid is COCCC(NC(=O)NC(C)c1ccccn1)C(=O)O.
What is the InChIKey of 4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid?
The InChIKey is FFGDSKRFJHIJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9(10-5-3-4-7-14-10)15-13(19)16-11(12(17)18)6-8-20-2/h3-5,7,9,11H,6,8H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid?
4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 62480587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).