2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid

C11H18N4O4 — CID 62480791

IUPAC2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)NCCn1ccnc1)C(=O)O
InChIInChI=1S/C11H18N4O4/c1-19-7-2-9(10(16)17)14-11(18)13-4-6-15-5-3-12-8-15/h3,5,8-9H,2,4,6-7H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyCOENQSXMZQKZOS-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.33
Rot. Bonds8

About 2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid

2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid (PubChem CID 62480791) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid
PubChem CID62480791
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)NCCn1ccnc1)C(=O)O
InChIInChI=1S/C11H18N4O4/c1-19-7-2-9(10(16)17)14-11(18)13-4-6-15-5-3-12-8-15/h3,5,8-9H,2,4,6-7H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyCOENQSXMZQKZOS-UHFFFAOYSA-N
XLogP-0.33
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic 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

4-methoxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid
CID 113413111
2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide
CID 62476777
(2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methylpentanoic acid
CID 7530166
4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 82873698
N-(2-imidazol-1-ylethyl)-2-methoxyacetamide
CID 60724975
2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 62478307
(2S)-2-(3-imidazol-1-ylpropanoylamino)pentanoic acid
CID 107564539
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526
4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid
CID 62473070
4-methoxy-2-(3-piperazin-1-ylpropylcarbamoylamino)butanoic acid
CID 62480603
propan-2-yl N-(2-imidazol-1-ylethyl)carbamate
CID 116654702
5-imidazol-1-yl-2-(methylamino)pentanoic acid
CID 174175752

Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid?
The IUPAC name of 2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid (CID 62480791) is 2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid.
What is the SMILES notation for 2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid?
The canonical SMILES for 2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid is COCCC(NC(=O)NCCn1ccnc1)C(=O)O.
What is the InChIKey of 2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid?
The InChIKey is COENQSXMZQKZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-19-7-2-9(10(16)17)14-11(18)13-4-6-15-5-3-12-8-15/h3,5,8-9H,2,4,6-7H2,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid?
2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid has a molecular weight of 270.29 g/mol, XLogP of -0.33, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid is sourced from PubChem (CID 62480791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).