2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid

C11H14N4O4 — CID 79825656

IUPAC2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid
SMILESCC(Nc1ccc([N+](=O)[O-])c(N)n1)(C(=O)O)C1CC1
InChIInChI=1S/C11H14N4O4/c1-11(10(16)17,6-2-3-6)14-8-5-4-7(15(18)19)9(12)13-8/h4-6H,2-3H2,1H3,(H,16,17)(H3,12,13,14)
InChIKeyLSPJXNSWWBCANN-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.24
Rot. Bonds5

About 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid

2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid (PubChem CID 79825656) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid
PubChem CID79825656
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid
SMILESCC(Nc1ccc([N+](=O)[O-])c(N)n1)(C(=O)O)C1CC1
InChIInChI=1S/C11H14N4O4/c1-11(10(16)17,6-2-3-6)14-8-5-4-7(15(18)19)9(12)13-8/h4-6H,2-3H2,1H3,(H,16,17)(H3,12,13,14)
InChIKeyLSPJXNSWWBCANN-UHFFFAOYSA-N
XLogP1.24
TPSA131.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.24
H-Bond Donors ≤ 53
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'}

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Related Compounds

3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097286
6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106329524
2-cyclopropyl-2-(4-methyl-3-nitroanilino)propanoic acid
CID 64668874
2-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]propanoic acid
CID 64668069
4-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 81066215
4-[(6-amino-5-nitro-2-pyridinyl)amino]benzoic acid
CID 79826488
1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 79827812
2-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79827901
2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763286
methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-methylpentanoate
CID 79815726
6-N-cycloheptyl-3-nitropyridine-2,6-diamine
CID 79826518
1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 79815316

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid (CID 79825656) is 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid is CC(Nc1ccc([N+](=O)[O-])c(N)n1)(C(=O)O)C1CC1.
What is the InChIKey of 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid?
The InChIKey is LSPJXNSWWBCANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-11(10(16)17,6-2-3-6)14-8-5-4-7(15(18)19)9(12)13-8/h4-6H,2-3H2,1H3,(H,16,17)(H3,12,13,14).
What are the key properties of 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid?
2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid has a molecular weight of 266.26 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 79825656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).