4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid

C10H17N3O3 — CID 103153802

IUPAC4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid
SMILESCCn1ccnc1NCC(CC(=O)O)OC
InChIInChI=1S/C10H17N3O3/c1-3-13-5-4-11-10(13)12-7-8(16-2)6-9(14)15/h4-5,8H,3,6-7H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyIXBRFILTBOFUFN-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.80
Rot. Bonds7

About 4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid

4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid (PubChem CID 103153802) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid
PubChem CID103153802
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid
SMILESCCn1ccnc1NCC(CC(=O)O)OC
InChIInChI=1S/C10H17N3O3/c1-3-13-5-4-11-10(13)12-7-8(16-2)6-9(14)15/h4-5,8H,3,6-7H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyIXBRFILTBOFUFN-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

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Related Compounds

5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid
CID 82017050
3-[(1-ethylimidazol-2-yl)amino]butanoic acid
CID 62138209
3-[(1-ethylimidazol-2-yl)amino]-3-methylbutanoic acid
CID 64701562
2-amino-N-(1-ethylimidazol-2-yl)butanamide
CID 131165493
3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
CID 103153890
2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid
CID 131137829
N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine
CID 55256491
2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid
CID 62478814
N-(2-chloro-4,4-dimethylpentyl)-1-ethylimidazol-2-amine
CID 107156123
4-[(5-bromoisoquinolin-1-yl)amino]-3-methoxybutanoic acid
CID 106536504
3-methoxy-4-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 103159174
3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278377

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid (CID 103153802) is 4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid is CCn1ccnc1NCC(CC(=O)O)OC.
What is the InChIKey of 4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid?
The InChIKey is IXBRFILTBOFUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-13-5-4-11-10(13)12-7-8(16-2)6-9(14)15/h4-5,8H,3,6-7H2,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid?
4-[(1-ethylimidazol-2-yl)amino]-3-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 4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103153802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).