4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid

C10H16N2O3 — CID 122454024

IUPAC4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid
SMILESO=C1NCCC1C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H16N2O3/c13-9-8(1-4-11-9)7-2-5-12(6-3-7)10(14)15/h7-8H,1-6H2,(H,11,13)(H,14,15)
InChIKeyVBNLNMCGMZQNQW-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.51
Rot. Bonds1

About 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid

4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid (PubChem CID 122454024) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid
PubChem CID122454024
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid
SMILESO=C1NCCC1C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H16N2O3/c13-9-8(1-4-11-9)7-2-5-12(6-3-7)10(14)15/h7-8H,1-6H2,(H,11,13)(H,14,15)
InChIKeyVBNLNMCGMZQNQW-UHFFFAOYSA-N
XLogP0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclobutylpyrrolidin-2-one
CID 105428038
tert-butyl (4aS,8aS)-8-oxo-1,3,4,4a,5,6,7,8a-octahydro-2,7-naphthyridine-2-carboxylate
CID 156559281
tert-butyl 3-[(3R)-2-oxopyrrolidin-3-yl]azetidine-1-carboxylate
CID 124518782
4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylic acid
CID 67033891
(3S)-3-cyclohexylpiperidin-2-one
CID 124514859
(3R)-3-hydroxypyrrolidin-2-one
CID 641547
(3R)-2-oxopyrrolidine-3-carboxylic acid
CID 92974819
4-[4-[(4aR,8aS)-2-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-1-yl]piperidin-1-yl]piperidine-1-carboxylic acid
CID 91299925
piperidine-1,4-dicarboxylic acid
CID 18542445
4-piperidin-4-yloxypiperidine-1-carboxylic acid
CID 69156881
4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone
CID 175756843
6,11,18,23-tetraoxo-1,4,7,10,13,16,19,22-octazacyclotetracosane-1,4,13,16-tetracarboxylic acid
CID 100960085

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid (CID 122454024) is 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid is O=C1NCCC1C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid?
The InChIKey is VBNLNMCGMZQNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9-8(1-4-11-9)7-2-5-12(6-3-7)10(14)15/h7-8H,1-6H2,(H,11,13)(H,14,15).
What are the key properties of 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid?
4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 122454024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).