4-(2-methylimidazol-1-yl)pentanoic acid

C9H14N2O2 — CID 62214885

IUPAC4-(2-methylimidazol-1-yl)pentanoic acid
SMILESCc1nccn1C(C)CCC(=O)O
InChIInChI=1S/C9H14N2O2/c1-7(3-4-9(12)13)11-6-5-10-8(11)2/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyOGTYPSDWCNMRIQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.62
Rot. Bonds4

About 4-(2-methylimidazol-1-yl)pentanoic acid

4-(2-methylimidazol-1-yl)pentanoic acid (PubChem CID 62214885) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)pentanoic acid
PubChem CID62214885
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-(2-methylimidazol-1-yl)pentanoic acid
SMILESCc1nccn1C(C)CCC(=O)O
InChIInChI=1S/C9H14N2O2/c1-7(3-4-9(12)13)11-6-5-10-8(11)2/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyOGTYPSDWCNMRIQ-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylimidazol-1-yl)pentanoic 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

(3R)-3-(2-methylimidazol-1-yl)butanoate
CID 6940829
3-(2-methylimidazol-1-yl)hexan-2-one
CID 139677914
3-(2-methylimidazol-1-yl)-1-piperazin-1-ylbutan-1-one
CID 82510754
2-(2-methylimidazol-1-yl)acetic acid;zinc
CID 175370537
2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide
CID 64704686
[2-[2-(2-methylimidazol-1-yl)propoxy]-1-phosphonoethyl]phosphonic acid
CID 19766363
2-(2-methylimidazol-1-yl)-N-propan-2-ylpropanamide
CID 63810179
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
3-[2-(2-methylimidazol-1-yl)ethylsulfonyl]propanoic acid
CID 61493428
3-[2-(2-methylimidazol-1-yl)ethylsulfinyl]propanoic acid
CID 61493699
3-(2-phenylimidazol-1-yl)butanoic acid
CID 53211630
4-(4-methylpyrazol-1-yl)pentanoic acid
CID 62213453

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)pentanoic acid?
The IUPAC name of 4-(2-methylimidazol-1-yl)pentanoic acid (CID 62214885) is 4-(2-methylimidazol-1-yl)pentanoic acid.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)pentanoic acid?
The canonical SMILES for 4-(2-methylimidazol-1-yl)pentanoic acid is Cc1nccn1C(C)CCC(=O)O.
What is the InChIKey of 4-(2-methylimidazol-1-yl)pentanoic acid?
The InChIKey is OGTYPSDWCNMRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(3-4-9(12)13)11-6-5-10-8(11)2/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-methylimidazol-1-yl)pentanoic acid?
4-(2-methylimidazol-1-yl)pentanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 62214885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).