1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid

C11H14N4O4 — CID 79827812

IUPAC1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESNc1nc(NC2(C(=O)O)CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O4/c12-9-7(15(18)19)3-4-8(13-9)14-11(10(16)17)5-1-2-6-11/h3-4H,1-2,5-6H2,(H,16,17)(H3,12,13,14)
InChIKeyGHPCAEWJBKUHRP-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.38
Rot. Bonds4

About 1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid

1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 79827812) 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)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
PubChem CID79827812
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESNc1nc(NC2(C(=O)O)CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O4/c12-9-7(15(18)19)3-4-8(13-9)14-11(10(16)17)5-1-2-6-11/h3-4H,1-2,5-6H2,(H,16,17)(H3,12,13,14)
InChIKeyGHPCAEWJBKUHRP-UHFFFAOYSA-N
XLogP1.38
TPSA131.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.38
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

1-[(6-cyano-5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 103469905
1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436128
2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid
CID 81162036
2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763286
2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid
CID 79825656
1-(2,3-difluoro-6-nitroanilino)cyclopentane-1-carboxylic acid
CID 62533137
1-(5-bromo-2-nitroanilino)cyclopentane-1-carboxylic acid
CID 65341991
4-[(6-amino-5-nitro-2-pyridinyl)amino]benzoic acid
CID 79826488
3-[(6-amino-5-nitro-2-pyridinyl)amino]propylcarbamic acid
CID 68711250
1-(5-chloro-2-nitroanilino)cyclohexane-1-carboxylic acid
CID 115469344
2-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79827901
1-[(5-nitropyrimidin-2-yl)amino]cycloheptane-1-carboxylic acid
CID 61292190

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (CID 79827812) is 1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is Nc1nc(NC2(C(=O)O)CCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is GHPCAEWJBKUHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c12-9-7(15(18)19)3-4-8(13-9)14-11(10(16)17)5-1-2-6-11/h3-4H,1-2,5-6H2,(H,16,17)(H3,12,13,14).
What are the key properties of 1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79827812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).