(3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid

C8H9N3O4 — CID 165347731

IUPAC(3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid
SMILESN[C@H](CC(=O)O)c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C8H9N3O4/c9-6(3-8(12)13)5-1-2-7(10-4-5)11(14)15/h1-2,4,6H,3,9H2,(H,12,13)/t6-/m1/s1
InChIKeyFQWWQMVEYMEQRW-ZCFIWIBFSA-N
MW211.18 g/mol
LogP0.46
Rot. Bonds4

About (3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid

(3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid (PubChem CID 165347731) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is (3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid
PubChem CID165347731
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name(3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid
SMILESN[C@H](CC(=O)O)c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C8H9N3O4/c9-6(3-8(12)13)5-1-2-7(10-4-5)11(14)15/h1-2,4,6H,3,9H2,(H,12,13)/t6-/m1/s1
InChIKeyFQWWQMVEYMEQRW-ZCFIWIBFSA-N
XLogP0.46
TPSA119.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.46
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'}

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Related Compounds

(2R)-2-amino-2-(6-nitro-3-pyridinyl)ethanol
CID 130703554
(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55293917
3,4-dihydroxy-4-(6-nitro-3-pyridinyl)butanamide
CID 171899162
3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid
CID 156612944
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
3-amino-3-(4-fluoro-3-nitrophenyl)propanoic acid
CID 52950301
4-amino-1-(6-nitro-3-pyridinyl)butane-1,2-diol
CID 171881245
3-butan-2-yloxy-2-(6-nitro-3-pyridinyl)-3-oxopropanoic acid
CID 68865702
(3S)-3-amino-3-[4-(difluoromethyl)phenyl]propanoic acid
CID 79016031
(3S)-3-amino-3-pyrimidin-5-ylpropanoic acid;hydrochloride
CID 155289986
3-amino-3-(4-chlorophenyl)propanoic acid;azane
CID 175752194

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid (CID 165347731) is (3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid is N[C@H](CC(=O)O)c1ccc([N+](=O)[O-])nc1.
What is the InChIKey of (3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid?
The InChIKey is FQWWQMVEYMEQRW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9N3O4/c9-6(3-8(12)13)5-1-2-7(10-4-5)11(14)15/h1-2,4,6H,3,9H2,(H,12,13)/t6-/m1/s1.
What are the key properties of (3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid?
(3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid has a molecular weight of 211.18 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid is sourced from PubChem (CID 165347731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).