4-aminooxycarbonylpiperidine-1-carboxylic acid

C7H12N2O4 — CID 150077485

IUPAC4-aminooxycarbonylpiperidine-1-carboxylic acid
SMILESNOC(=O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C7H12N2O4/c8-13-6(10)5-1-3-9(4-2-5)7(11)12/h5H,1-4,8H2,(H,11,12)
InChIKeyDQOJRZDYMILKDV-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.21
Rot. Bonds1

About 4-aminooxycarbonylpiperidine-1-carboxylic acid

4-aminooxycarbonylpiperidine-1-carboxylic acid (PubChem CID 150077485) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 4-aminooxycarbonylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-aminooxycarbonylpiperidine-1-carboxylic acid
PubChem CID150077485
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name4-aminooxycarbonylpiperidine-1-carboxylic acid
SMILESNOC(=O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C7H12N2O4/c8-13-6(10)5-1-3-9(4-2-5)7(11)12/h5H,1-4,8H2,(H,11,12)
InChIKeyDQOJRZDYMILKDV-UHFFFAOYSA-N
XLogP-0.21
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-aminooxycarbonylpiperidine-1-carboxylic acid?
The IUPAC name of 4-aminooxycarbonylpiperidine-1-carboxylic acid (CID 150077485) is 4-aminooxycarbonylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-aminooxycarbonylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-aminooxycarbonylpiperidine-1-carboxylic acid is NOC(=O)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-aminooxycarbonylpiperidine-1-carboxylic acid?
The InChIKey is DQOJRZDYMILKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c8-13-6(10)5-1-3-9(4-2-5)7(11)12/h5H,1-4,8H2,(H,11,12).
What are the key properties of 4-aminooxycarbonylpiperidine-1-carboxylic acid?
4-aminooxycarbonylpiperidine-1-carboxylic acid has a molecular weight of 188.18 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminooxycarbonylpiperidine-1-carboxylic acid is sourced from PubChem (CID 150077485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).