1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

C14H23N3O4 — CID 122124059

IUPAC1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCN1CC(NC(=O)N2CC(C)CC(C(=O)O)C2)CC1=O
InChIInChI=1S/C14H23N3O4/c1-3-16-8-11(5-12(16)18)15-14(21)17-6-9(2)4-10(7-17)13(19)20/h9-11H,3-8H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyKVFFCWRCXMYRSU-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.36
Rot. Bonds3

About 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122124059) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122124059
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCN1CC(NC(=O)N2CC(C)CC(C(=O)O)C2)CC1=O
InChIInChI=1S/C14H23N3O4/c1-3-16-8-11(5-12(16)18)15-14(21)17-6-9(2)4-10(7-17)13(19)20/h9-11H,3-8H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyKVFFCWRCXMYRSU-UHFFFAOYSA-N
XLogP0.36
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122016509
5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122869
5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122123028
4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122016510
1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123979
5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122872
4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide
CID 125438861
4-[(3,5-dimethylphenyl)methyl]-N-(1-ethyl-5-oxopyrrolidin-3-yl)-3-oxopiperazine-1-carboxamide
CID 122560678
5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122123211
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)piperidine-1-carboxamide
CID 122564760
5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122123402
1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124143

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122124059) is 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is CCN1CC(NC(=O)N2CC(C)CC(C(=O)O)C2)CC1=O.
What is the InChIKey of 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is KVFFCWRCXMYRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-3-16-8-11(5-12(16)18)15-14(21)17-6-9(2)4-10(7-17)13(19)20/h9-11H,3-8H2,1-2H3,(H,15,21)(H,19,20).
What are the key properties of 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122124059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).