3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid

C10H17NO3 — CID 79006816

IUPAC3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)CN1CCCCC1=O
InChIInChI=1S/C10H17NO3/c1-8(6-10(13)14)7-11-5-3-2-4-9(11)12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyOWPVAIGSVAZJGK-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds4

About 3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid

3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid (PubChem CID 79006816) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
PubChem CID79006816
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)CN1CCCCC1=O
InChIInChI=1S/C10H17NO3/c1-8(6-10(13)14)7-11-5-3-2-4-9(11)12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyOWPVAIGSVAZJGK-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-2-methylpropyl)piperidin-2-one
CID 43367864
2-acetamido-3-(2-oxoazocan-1-yl)propanoic acid
CID 64581697
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
CID 104550322
3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
CID 65220431
2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 64582491
2-methyl-3-(2-oxoazocan-1-yl)propanethioamide
CID 43175041
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
2-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842030
2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 66167247
1-(3-ethyl-2-hydroxypentyl)piperidin-2-one
CID 106288701
1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one
CID 65012384

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid?
The IUPAC name of 3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid (CID 79006816) is 3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid.
What is the SMILES notation for 3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid?
The canonical SMILES for 3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid is CC(CC(=O)O)CN1CCCCC1=O.
What is the InChIKey of 3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid?
The InChIKey is OWPVAIGSVAZJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(6-10(13)14)7-11-5-3-2-4-9(11)12/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid?
3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid is sourced from PubChem (CID 79006816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).