2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid

C10H17N3O3 — CID 62478814

IUPAC2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid
SMILESCCn1ccnc1NC(CCOC)C(=O)O
InChIInChI=1S/C10H17N3O3/c1-3-13-6-5-11-10(13)12-8(9(14)15)4-7-16-2/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyJXRYGYNWCRAAOI-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.80
Rot. Bonds7

About 2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid

2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid (PubChem CID 62478814) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid
PubChem CID62478814
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid
SMILESCCn1ccnc1NC(CCOC)C(=O)O
InChIInChI=1S/C10H17N3O3/c1-3-13-6-5-11-10(13)12-8(9(14)15)4-7-16-2/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyJXRYGYNWCRAAOI-UHFFFAOYSA-N
XLogP0.80
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1-ethylimidazol-2-yl)amino]-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

2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid
CID 81078505
2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol
CID 106186173
4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid
CID 83063532
3-methoxy-2-[(1-methylimidazol-2-yl)amino]propanoic acid
CID 81078507
3-[(1-ethylimidazol-2-yl)amino]butanoic acid
CID 62138209
2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine
CID 106182281
1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one
CID 114210811
4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 62478119
2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid
CID 55039484
2-[(1-methylimidazol-2-yl)amino]butanoic acid
CID 62132542
2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid
CID 131137829
4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid
CID 103153802

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid (CID 62478814) is 2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid is CCn1ccnc1NC(CCOC)C(=O)O.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid?
The InChIKey is JXRYGYNWCRAAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-13-6-5-11-10(13)12-8(9(14)15)4-7-16-2/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid?
2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid has a molecular weight of 227.26 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62478814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).