5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid

C11H19N3O2 — CID 82017050

IUPAC5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid
SMILESCCn1ccnc1NCC(C)CCC(=O)O
InChIInChI=1S/C11H19N3O2/c1-3-14-7-6-12-11(14)13-8-9(2)4-5-10(15)16/h6-7,9H,3-5,8H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyLZARZUPMSBHNMD-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.82
Rot. Bonds7

About 5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid

5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid (PubChem CID 82017050) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid
PubChem CID82017050
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid
SMILESCCn1ccnc1NCC(C)CCC(=O)O
InChIInChI=1S/C11H19N3O2/c1-3-14-7-6-12-11(14)13-8-9(2)4-5-10(15)16/h6-7,9H,3-5,8H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyLZARZUPMSBHNMD-UHFFFAOYSA-N
XLogP1.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid
CID 103153802
3-[(1-ethylimidazol-2-yl)amino]butanoic acid
CID 62138209
4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid
CID 82684004
3-[(1-ethylimidazol-2-yl)amino]-3-methylbutanoic acid
CID 64701562
2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid
CID 131137829
N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine
CID 55256491
5-[(7-hydroxyisoquinolin-1-yl)amino]-4-methylpentanoic acid
CID 106536456
N-(2-chloro-4,4-dimethylpentyl)-1-ethylimidazol-2-amine
CID 107156123
5-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 104606017
1-butyl-N-(2-methylbutyl)imidazol-2-amine
CID 106570370
2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol
CID 106435664
3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol
CID 127013523

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid (CID 82017050) is 5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid is CCn1ccnc1NCC(C)CCC(=O)O.
What is the InChIKey of 5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid?
The InChIKey is LZARZUPMSBHNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-14-7-6-12-11(14)13-8-9(2)4-5-10(15)16/h6-7,9H,3-5,8H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid?
5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82017050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).