5-cyclohexyl-4-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]pentanoic acid

C17H26N4O5 — CID 122056838

IUPAC5-cyclohexyl-4-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]pentanoic acid
SMILESCc1nc([N+](=O)[O-])cn1CC(=O)NC(CCC(=O)O)CC1CCCCC1
InChIInChI=1S/C17H26N4O5/c1-12-18-15(21(25)26)10-20(12)11-16(22)19-14(7-8-17(23)24)9-13-5-3-2-4-6-13/h10,13-14H,2-9,11H2,1H3,(H,19,22)(H,23,24)
InChIKeyZSZALSQQVFLSHQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.42
Rot. Bonds9

About 5-cyclohexyl-4-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]pentanoic acid

5-cyclohexyl-4-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]pentanoic acid (PubChem CID 122056838) has the molecular formula C17H26N4O5 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-cyclohexyl-4-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]pentanoic acid
PubChem CID122056838
Molecular FormulaC17H26N4O5
Molecular Weight366.42 g/mol
Exact Mass366.19
IUPAC Name5-cyclohexyl-4-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]pentanoic acid
SMILESCc1nc([N+](=O)[O-])cn1CC(=O)NC(CCC(=O)O)CC1CCCCC1
InChIInChI=1S/C17H26N4O5/c1-12-18-15(21(25)26)10-20(12)11-16(22)19-14(7-8-17(23)24)9-13-5-3-2-4-6-13/h10,13-14H,2-9,11H2,1H3,(H,19,22)(H,23,24)
InChIKeyZSZALSQQVFLSHQ-UHFFFAOYSA-N
XLogP2.42
TPSA127.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-cyclohexyl-4-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]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

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]pentanoic acid (CID 122056838) is 5-cyclohexyl-4-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]pentanoic acid is Cc1nc([N+](=O)[O-])cn1CC(=O)NC(CCC(=O)O)CC1CCCCC1.
What is the InChIKey of 5-cyclohexyl-4-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is ZSZALSQQVFLSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5/c1-12-18-15(21(25)26)10-20(12)11-16(22)19-14(7-8-17(23)24)9-13-5-3-2-4-6-13/h10,13-14H,2-9,11H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 5-cyclohexyl-4-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]pentanoic acid?
5-cyclohexyl-4-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 366.42 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 122056838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).