2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid

C12H16N4O4 — CID 81162036

IUPAC2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid
SMILESNc1nc(NCC2(CC(=O)O)CCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O4/c13-11-8(16(19)20)2-3-9(15-11)14-7-12(4-1-5-12)6-10(17)18/h2-3H,1,4-7H2,(H,17,18)(H3,13,14,15)
InChIKeyFYZSOVXBDHVKNZ-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.63
Rot. Bonds6

About 2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81162036) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81162036
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid
SMILESNc1nc(NCC2(CC(=O)O)CCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O4/c13-11-8(16(19)20)2-3-9(15-11)14-7-12(4-1-5-12)6-10(17)18/h2-3H,1,4-7H2,(H,17,18)(H3,13,14,15)
InChIKeyFYZSOVXBDHVKNZ-UHFFFAOYSA-N
XLogP1.63
TPSA131.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.63
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'}

Analyze 2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid with MolForge

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Related Compounds

1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436128
1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 79827812
1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 79815316
2-[1-[[(3-nitro-4-pyridinyl)amino]methyl]cyclobutyl]acetic acid
CID 81160976
2-[1-[[(5-nitropyrimidin-2-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162217
4-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 81066215
3-[(6-amino-5-nitro-2-pyridinyl)amino]propylcarbamic acid
CID 68711250
2-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79827901
2-[1-[[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]methyl]cyclobutyl]acetic acid
CID 81163939
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine
CID 133491630
2-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]phenol
CID 10083938
2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid
CID 81161057

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid (CID 81162036) is 2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid is Nc1nc(NCC2(CC(=O)O)CCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is FYZSOVXBDHVKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c13-11-8(16(19)20)2-3-9(15-11)14-7-12(4-1-5-12)6-10(17)18/h2-3H,1,4-7H2,(H,17,18)(H3,13,14,15).
What are the key properties of 2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 280.28 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81162036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).