3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid

C14H24N2O3 — CID 63147851

IUPAC3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CCCCC1)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-11(12(17)15-7-4-3-5-8-15)16-9-6-14(2,10-16)13(18)19/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyYHDCTUXUIVGCBD-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.18
Rot. Bonds3

About 3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid

3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 63147851) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID63147851
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CCCCC1)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-11(12(17)15-7-4-3-5-8-15)16-9-6-14(2,10-16)13(18)19/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyYHDCTUXUIVGCBD-UHFFFAOYSA-N
XLogP1.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 63148161
1-(azepan-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 113249921
3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 107325006
3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 107324760
4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide
CID 107161623
(2R)-1-(azepan-1-yl)-2-(4,4-dimethylazepan-1-yl)propan-1-one
CID 99811252
3-methyl-1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63147805
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one
CID 43083770
3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid
CID 65064069
2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 102850231
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid (CID 63147851) is 3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid is CC(C(=O)N1CCCCC1)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is YHDCTUXUIVGCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(12(17)15-7-4-3-5-8-15)16-9-6-14(2,10-16)13(18)19/h11H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).