3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid

C9H15NO4 — CID 126987137

IUPAC3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid
SMILESCC(CO)(C(=O)O)N1CCCCC1=O
InChIInChI=1S/C9H15NO4/c1-9(6-11,8(13)14)10-5-3-2-4-7(10)12/h11H,2-6H2,1H3,(H,13,14)
InChIKeyFBEQVSBLEGVHMD-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.17
Rot. Bonds3

About 3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid

3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid (PubChem CID 126987137) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid
PubChem CID126987137
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid
SMILESCC(CO)(C(=O)O)N1CCCCC1=O
InChIInChI=1S/C9H15NO4/c1-9(6-11,8(13)14)10-5-3-2-4-7(10)12/h11H,2-6H2,1H3,(H,13,14)
InChIKeyFBEQVSBLEGVHMD-UHFFFAOYSA-N
XLogP-0.17
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one
CID 104550721
2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid
CID 61344571
2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid
CID 150543821
1-[9-(ethylamino)-3-methyl-4-oxononan-3-yl]azepan-2-one
CID 71052496
2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid
CID 114989853
1-tert-butylpyrrolidin-2-one;ethane
CID 143067264
1-(2-hydroxy-2-methylpropyl)piperidin-2-one
CID 83816285
2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid
CID 70223075
2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid
CID 66173577
1-(2-hydroxy-2-methylbutyl)piperidin-2-one
CID 104549829
1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one
CID 122459061
3-(2,7-dioxoazepan-1-yl)-3-methylbutanoic acid
CID 64700178

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid?
The IUPAC name of 3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid (CID 126987137) is 3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid is CC(CO)(C(=O)O)N1CCCCC1=O.
What is the InChIKey of 3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid?
The InChIKey is FBEQVSBLEGVHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(6-11,8(13)14)10-5-3-2-4-7(10)12/h11H,2-6H2,1H3,(H,13,14).
What are the key properties of 3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid?
3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid has a molecular weight of 201.22 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid is sourced from PubChem (CID 126987137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).