2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid

C12H19N3O4 — CID 106191895

IUPAC2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C12H19N3O4/c1-7-4-8(11(17)18)2-3-15(7)12(19)14-9-5-10(16)13-6-9/h7-9H,2-6H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyKCTZUAGKAWMIQG-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.23
Rot. Bonds2

About 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid

2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 106191895) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID106191895
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C12H19N3O4/c1-7-4-8(11(17)18)2-3-15(7)12(19)14-9-5-10(16)13-6-9/h7-9H,2-6H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyKCTZUAGKAWMIQG-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 106191753
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106191704
2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744253
3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114156975
2-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744292
1-[(5-oxopyrrolidin-3-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 106185187
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106184637
1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742306
1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744401
1-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744540
2-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 106382844
4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 106197968

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid (CID 106191895) is 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)NC1CNC(=O)C1.
What is the InChIKey of 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is KCTZUAGKAWMIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-7-4-8(11(17)18)2-3-15(7)12(19)14-9-5-10(16)13-6-9/h7-9H,2-6H2,1H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid?
2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106191895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).