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

C13H21N3O4 — CID 122122872

IUPAC5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC2CCN(C)C2=O)C1
InChIInChI=1S/C13H21N3O4/c1-8-5-9(12(18)19)7-16(6-8)13(20)14-10-3-4-15(2)11(10)17/h8-10H,3-7H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyKCBBVVBCCGUOKJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.03
Rot. Bonds2

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

5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122122872) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122122872
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC2CCN(C)C2=O)C1
InChIInChI=1S/C13H21N3O4/c1-8-5-9(12(18)19)7-16(6-8)13(20)14-10-3-4-15(2)11(10)17/h8-10H,3-7H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyKCBBVVBCCGUOKJ-UHFFFAOYSA-N
XLogP-0.03
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122123586
5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122123028
5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122122689
(2S)-4-hydroxy-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 106257927
7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 106257966
4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 127345397
3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 106257801
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124059
1-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123219
5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122869
1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid
CID 114548926
5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid
CID 122123842

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid (CID 122122872) is 5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NC2CCN(C)C2=O)C1.
What is the InChIKey of 5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is KCBBVVBCCGUOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-8-5-9(12(18)19)7-16(6-8)13(20)14-10-3-4-15(2)11(10)17/h8-10H,3-7H2,1-2H3,(H,14,20)(H,18,19).
What are the key properties of 5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122122872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).