5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid

C11H19NO3 — CID 104679844

IUPAC5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid
SMILESCC1CCCN(CCCCC(=O)O)C1=O
InChIInChI=1S/C11H19NO3/c1-9-5-4-8-12(11(9)15)7-3-2-6-10(13)14/h9H,2-8H2,1H3,(H,13,14)
InChIKeyJWGUNGWUCPMSBT-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds5

About 5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid

5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid (PubChem CID 104679844) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid
PubChem CID104679844
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid
SMILESCC1CCCN(CCCCC(=O)O)C1=O
InChIInChI=1S/C11H19NO3/c1-9-5-4-8-12(11(9)15)7-3-2-6-10(13)14/h9H,2-8H2,1H3,(H,13,14)
InChIKeyJWGUNGWUCPMSBT-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide
CID 104680132
3-(3-methyl-2-oxopiperidin-1-yl)propanethioamide
CID 104680130
1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one
CID 104679985
3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one
CID 104680063
2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679897
2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679872
1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one
CID 104751665
3-(3,4-dimethyl-2-oxo-1,4-diazepan-1-yl)propanoic acid
CID 115102279
(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
CID 163890114
6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
CID 174674444
ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate
CID 104679887
1-[2-(2-chloroethoxy)ethyl]-3-methylpiperidin-2-one
CID 104679926

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid?
The IUPAC name of 5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid (CID 104679844) is 5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid?
The canonical SMILES for 5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid is CC1CCCN(CCCCC(=O)O)C1=O.
What is the InChIKey of 5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid?
The InChIKey is JWGUNGWUCPMSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9-5-4-8-12(11(9)15)7-3-2-6-10(13)14/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid?
5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 104679844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).