(2R)-1-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-2-carboxylic acid

C13H15N3O4 — CID 92534481

IUPAC(2R)-1-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H15N3O4/c17-13(18)12-6-1-2-7-15(12)14-9-10-4-3-5-11(8-10)16(19)20/h3-5,8-9,12H,1-2,6-7H2,(H,17,18)/b14-9-/t12-/m1/s1
InChIKeyXPZFKZJARYVLNQ-OJLMPMFISA-N
MW277.28 g/mol
LogP1.87
Rot. Bonds4

About (2R)-1-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-2-carboxylic acid

(2R)-1-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-2-carboxylic acid (PubChem CID 92534481) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2R)-1-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-2-carboxylic acid
PubChem CID92534481
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name(2R)-1-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H15N3O4/c17-13(18)12-6-1-2-7-15(12)14-9-10-4-3-5-11(8-10)16(19)20/h3-5,8-9,12H,1-2,6-7H2,(H,17,18)/b14-9-/t12-/m1/s1
InChIKeyXPZFKZJARYVLNQ-OJLMPMFISA-N
XLogP1.87
TPSA96.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-2-carboxylic acid (CID 92534481) is (2R)-1-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1/N=C\c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2R)-1-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-2-carboxylic acid?
The InChIKey is XPZFKZJARYVLNQ-OJLMPMFISA-N. The full InChI is InChI=1S/C13H15N3O4/c17-13(18)12-6-1-2-7-15(12)14-9-10-4-3-5-11(8-10)16(19)20/h3-5,8-9,12H,1-2,6-7H2,(H,17,18)/b14-9-/t12-/m1/s1.
What are the key properties of (2R)-1-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-2-carboxylic acid?
(2R)-1-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-2-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-2-carboxylic acid is sourced from PubChem (CID 92534481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).