3-amino-2-oxopiperidine-1-carboxylic acid

C6H10N2O3 — CID 123779118

IUPAC3-amino-2-oxopiperidine-1-carboxylic acid
SMILESNC1CCCN(C(=O)O)C1=O
InChIInChI=1S/C6H10N2O3/c7-4-2-1-3-8(5(4)9)6(10)11/h4H,1-3,7H2,(H,10,11)
InChIKeyMMZYWEFNCLHZSF-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.39
Rot. Bonds

About 3-amino-2-oxopiperidine-1-carboxylic acid

3-amino-2-oxopiperidine-1-carboxylic acid (PubChem CID 123779118) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 3-amino-2-oxopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-oxopiperidine-1-carboxylic acid
PubChem CID123779118
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name3-amino-2-oxopiperidine-1-carboxylic acid
SMILESNC1CCCN(C(=O)O)C1=O
InChIInChI=1S/C6H10N2O3/c7-4-2-1-3-8(5(4)9)6(10)11/h4H,1-3,7H2,(H,10,11)
InChIKeyMMZYWEFNCLHZSF-UHFFFAOYSA-N
XLogP-0.39
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate
CID 131152423
3-(hydroxymethyl)-2-oxoazepane-1-carboxylic acid
CID 175308634
(3S)-3-amino-1-(C,N-dimethylcarbonimidoyl)azepan-2-one
CID 59950932
(3S)-3-amino-1-methylpiperidin-2-one
CID 67416126
(3S)-3-amino-1-hydroxyazepan-2-one
CID 16752816
3-amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one
CID 134406349
3-amino-1-(2-oxopropyl)piperidin-2-one
CID 71595862
[(4S,7S)-7-amino-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepin-4-yl] hydrogen carbonate
CID 70536871
(3R)-3-amino-2-oxo-N-propan-2-ylazepane-1-carbothioamide
CID 87870119
2-(3-amino-2-oxoazonan-1-yl)acetic acid
CID 23322748
3-amino-1-(4-hydroxybutyl)piperidin-2-one
CID 106846824
azane;3-methyl-2-oxopyrrolidine-1-carboxylic acid
CID 175290207

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-oxopiperidine-1-carboxylic acid?
The IUPAC name of 3-amino-2-oxopiperidine-1-carboxylic acid (CID 123779118) is 3-amino-2-oxopiperidine-1-carboxylic acid.
What is the SMILES notation for 3-amino-2-oxopiperidine-1-carboxylic acid?
The canonical SMILES for 3-amino-2-oxopiperidine-1-carboxylic acid is NC1CCCN(C(=O)O)C1=O.
What is the InChIKey of 3-amino-2-oxopiperidine-1-carboxylic acid?
The InChIKey is MMZYWEFNCLHZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c7-4-2-1-3-8(5(4)9)6(10)11/h4H,1-3,7H2,(H,10,11).
What are the key properties of 3-amino-2-oxopiperidine-1-carboxylic acid?
3-amino-2-oxopiperidine-1-carboxylic acid has a molecular weight of 158.16 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-oxopiperidine-1-carboxylic acid is sourced from PubChem (CID 123779118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).