1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid

C10H14N4O4 — CID 61292165

IUPAC1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCn1cnc([N+](=O)[O-])c1NC1(C(=O)O)CCCC1
InChIInChI=1S/C10H14N4O4/c1-13-6-11-7(14(17)18)8(13)12-10(9(15)16)4-2-3-5-10/h6,12H,2-5H2,1H3,(H,15,16)
InChIKeyVFGXVNLHKQFYMO-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.14
Rot. Bonds4

About 1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid

1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 61292165) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID61292165
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCn1cnc([N+](=O)[O-])c1NC1(C(=O)O)CCCC1
InChIInChI=1S/C10H14N4O4/c1-13-6-11-7(14(17)18)8(13)12-10(9(15)16)4-2-3-5-10/h6,12H,2-5H2,1H3,(H,15,16)
InChIKeyVFGXVNLHKQFYMO-UHFFFAOYSA-N
XLogP1.14
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.14
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 1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic 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 1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid (CID 61292165) is 1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid is Cn1cnc([N+](=O)[O-])c1NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is VFGXVNLHKQFYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-13-6-11-7(14(17)18)8(13)12-10(9(15)16)4-2-3-5-10/h6,12H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid?
1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61292165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).