5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid

C15H25N3O4 — CID 122122869

IUPAC5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC2CC(=O)N(C(C)C)C2)C1
InChIInChI=1S/C15H25N3O4/c1-9(2)18-8-12(5-13(18)19)16-15(22)17-6-10(3)4-11(7-17)14(20)21/h9-12H,4-8H2,1-3H3,(H,16,22)(H,20,21)
InChIKeyKYZAKYDEOPGRND-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.75
Rot. Bonds3

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

5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122122869) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122122869
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC2CC(=O)N(C(C)C)C2)C1
InChIInChI=1S/C15H25N3O4/c1-9(2)18-8-12(5-13(18)19)16-15(22)17-6-10(3)4-11(7-17)14(20)21/h9-12H,4-8H2,1-3H3,(H,16,22)(H,20,21)
InChIKeyKYZAKYDEOPGRND-UHFFFAOYSA-N
XLogP0.75
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124059
5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122123028
2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide
CID 108876894
(4R)-4-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 9400875
5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122121872
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108876913
5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122872
5-methyl-1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122461
5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid
CID 122123842
1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123979
2-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide
CID 110736652
1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122879

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid (CID 122122869) is 5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NC2CC(=O)N(C(C)C)C2)C1.
What is the InChIKey of 5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is KYZAKYDEOPGRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-9(2)18-8-12(5-13(18)19)16-15(22)17-6-10(3)4-11(7-17)14(20)21/h9-12H,4-8H2,1-3H3,(H,16,22)(H,20,21).
What are the key properties of 5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122122869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).