2-(hydroxycarbamoyl)piperidine-1-carboxylic acid

C7H12N2O4 — CID 54289954

IUPAC2-(hydroxycarbamoyl)piperidine-1-carboxylic acid
SMILESO=C(NO)C1CCCCN1C(=O)O
InChIInChI=1S/C7H12N2O4/c10-6(8-13)5-3-1-2-4-9(5)7(11)12/h5,13H,1-4H2,(H,8,10)(H,11,12)
InChIKeyRWUHPGGFKDOSSP-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.02
Rot. Bonds1

About 2-(hydroxycarbamoyl)piperidine-1-carboxylic acid

2-(hydroxycarbamoyl)piperidine-1-carboxylic acid (PubChem CID 54289954) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(hydroxycarbamoyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxycarbamoyl)piperidine-1-carboxylic acid
PubChem CID54289954
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-(hydroxycarbamoyl)piperidine-1-carboxylic acid
SMILESO=C(NO)C1CCCCN1C(=O)O
InChIInChI=1S/C7H12N2O4/c10-6(8-13)5-3-1-2-4-9(5)7(11)12/h5,13H,1-4H2,(H,8,10)(H,11,12)
InChIKeyRWUHPGGFKDOSSP-UHFFFAOYSA-N
XLogP0.02
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
CID 21355915
2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 123428236
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
CID 14471857
2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid
CID 69059915
2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 175733290
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
(2S)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]piperidine-1-carboxylic acid
CID 148549312
(2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 121437087
2-hydroxypiperidine-1-carboxylic acid;hydrochloride
CID 178068462
2-(3-oxobutanoyl)pyrrolidine-1-carboxylic acid
CID 68812261
(2S)-2-[[(E,3S)-6-methoxy-6-oxohex-4-en-3-yl]carbamoyl]piperidine-1-carboxylic acid
CID 67772367

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxycarbamoyl)piperidine-1-carboxylic acid?
The IUPAC name of 2-(hydroxycarbamoyl)piperidine-1-carboxylic acid (CID 54289954) is 2-(hydroxycarbamoyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-(hydroxycarbamoyl)piperidine-1-carboxylic acid?
The canonical SMILES for 2-(hydroxycarbamoyl)piperidine-1-carboxylic acid is O=C(NO)C1CCCCN1C(=O)O.
What is the InChIKey of 2-(hydroxycarbamoyl)piperidine-1-carboxylic acid?
The InChIKey is RWUHPGGFKDOSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c10-6(8-13)5-3-1-2-4-9(5)7(11)12/h5,13H,1-4H2,(H,8,10)(H,11,12).
What are the key properties of 2-(hydroxycarbamoyl)piperidine-1-carboxylic acid?
2-(hydroxycarbamoyl)piperidine-1-carboxylic acid has a molecular weight of 188.18 g/mol, XLogP of 0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxycarbamoyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 54289954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).