5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid

C13H23NO3 — CID 62964423

IUPAC5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCCC(C)C1C
InChIInChI=1S/C13H23NO3/c1-9(8-13(16)17)7-12(15)14-6-4-5-10(2)11(14)3/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyGQLIINNLQPQPFK-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.13
Rot. Bonds4

About 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid

5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid (PubChem CID 62964423) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid
PubChem CID62964423
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCCC(C)C1C
InChIInChI=1S/C13H23NO3/c1-9(8-13(16)17)7-12(15)14-6-4-5-10(2)11(14)3/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyGQLIINNLQPQPFK-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 64591825
1-(2,3-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119764071
(2S,3S)-2-methyl-1-(3-methylbutanoyl)piperidine-3-carboxylic acid
CID 122114574
2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 55246330
2-(cyclopentylamino)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 55040519
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid
CID 78986525
5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid
CID 79187870
3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid
CID 62965956
2-amino-1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 62123034
3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one
CID 55211075
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 79010361
5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964849

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid (CID 62964423) is 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N1CCCC(C)C1C.
What is the InChIKey of 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid?
The InChIKey is GQLIINNLQPQPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(8-13(16)17)7-12(15)14-6-4-5-10(2)11(14)3/h9-11H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid?
5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62964423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).