3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid

C13H15N3O5 — CID 120535703

IUPAC3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C13H15N3O5/c1-7-10(5-9(6-14-7)16(20)21)12(17)15-11(13(18)19)4-8-2-3-8/h5-6,8,11H,2-4H2,1H3,(H,15,17)(H,18,19)
InChIKeyFFKUXQIROIHKEO-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.28
Rot. Bonds6

About 3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid

3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid (PubChem CID 120535703) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid
PubChem CID120535703
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C13H15N3O5/c1-7-10(5-9(6-14-7)16(20)21)12(17)15-11(13(18)19)4-8-2-3-8/h5-6,8,11H,2-4H2,1H3,(H,15,17)(H,18,19)
InChIKeyFFKUXQIROIHKEO-UHFFFAOYSA-N
XLogP1.28
TPSA122.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic 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

(2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid
CID 119370336
3-[(2-methyl-5-nitropyridine-3-carbonyl)amino]butanoic acid
CID 119347951
N-(2-amino-1-cyclohexylethyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119591180
N-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119477616
N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide
CID 109478731
2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 21405310
3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid
CID 120535785
2-methyl-5-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 75376448
3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 136556314
4-methyl-2-[[(2-methyl-5-nitropyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 120528434
2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]cyclooctane-1-carboxylic acid
CID 120532905
2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid
CID 120689553

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid (CID 120535703) is 3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid is Cc1ncc([N+](=O)[O-])cc1C(=O)NC(CC1CC1)C(=O)O.
What is the InChIKey of 3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is FFKUXQIROIHKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-7-10(5-9(6-14-7)16(20)21)12(17)15-11(13(18)19)4-8-2-3-8/h5-6,8,11H,2-4H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid?
3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 293.28 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120535703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).