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

C10H17NO3 — CID 174664604

IUPAC2-(3-methyl-2-oxopiperidin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCCC(C)C1=O
InChIInChI=1S/C10H17NO3/c1-3-8(10(13)14)11-6-4-5-7(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyYUVPRZBQIVFVFX-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds3

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

2-(3-methyl-2-oxopiperidin-1-yl)butanoic acid (PubChem CID 174664604) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(3-methyl-2-oxopiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(3-methyl-2-oxopiperidin-1-yl)butanoic acid
PubChem CID174664604
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(3-methyl-2-oxopiperidin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCCC(C)C1=O
InChIInChI=1S/C10H17NO3/c1-3-8(10(13)14)11-6-4-5-7(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyYUVPRZBQIVFVFX-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxopiperidin-1-yl)butanoic acid?
The IUPAC name of 2-(3-methyl-2-oxopiperidin-1-yl)butanoic acid (CID 174664604) is 2-(3-methyl-2-oxopiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2-(3-methyl-2-oxopiperidin-1-yl)butanoic acid?
The canonical SMILES for 2-(3-methyl-2-oxopiperidin-1-yl)butanoic acid is CCC(C(=O)O)N1CCCC(C)C1=O.
What is the InChIKey of 2-(3-methyl-2-oxopiperidin-1-yl)butanoic acid?
The InChIKey is YUVPRZBQIVFVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-8(10(13)14)11-6-4-5-7(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-methyl-2-oxopiperidin-1-yl)butanoic acid?
2-(3-methyl-2-oxopiperidin-1-yl)butanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxopiperidin-1-yl)butanoic acid is sourced from PubChem (CID 174664604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).