1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid

C11H14N4O4 — CID 79827817

IUPAC1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C11H14N4O4/c1-6-7(11(16)17)4-5-14(6)9-3-2-8(15(18)19)10(12)13-9/h2-3,6-7H,4-5H2,1H3,(H2,12,13)(H,16,17)
InChIKeyMPWVNVCLQDZTRO-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.87
Rot. Bonds3

About 1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid

1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79827817) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79827817
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C11H14N4O4/c1-6-7(11(16)17)4-5-14(6)9-3-2-8(15(18)19)10(12)13-9/h2-3,6-7H,4-5H2,1H3,(H2,12,13)(H,16,17)
InChIKeyMPWVNVCLQDZTRO-UHFFFAOYSA-N
XLogP0.87
TPSA122.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.87
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-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-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

Related Compounds

1-(6-amino-5-nitro-2-pyridinyl)azepane-2-carboxylic acid
CID 79828132
1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79825655
1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 112627940
3-[1-(6-amino-5-nitro-2-pyridinyl)piperidin-4-yl]propanoic acid
CID 79826424
methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate
CID 115538245
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718980
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718979
6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine
CID 114238626
6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine
CID 21354525
6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine
CID 79816167
6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine
CID 103577786
1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103198490

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid (CID 79827817) is 1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1c1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is MPWVNVCLQDZTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-6-7(11(16)17)4-5-14(6)9-3-2-8(15(18)19)10(12)13-9/h2-3,6-7H,4-5H2,1H3,(H2,12,13)(H,16,17).
What are the key properties of 1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79827817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).