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

C10H17NO3 — CID 15283805

IUPAC(2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoic acid
SMILESCC(C)[C@@H](C(=O)O)N1CCCCC1=O
InChIInChI=1S/C10H17NO3/c1-7(2)9(10(13)14)11-6-4-3-5-8(11)12/h7,9H,3-6H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyQVYYMDJECUZHSW-VIFPVBQESA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds3

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

(2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoic acid (PubChem CID 15283805) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoic acid
PubChem CID15283805
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoic acid
SMILESCC(C)[C@@H](C(=O)O)N1CCCCC1=O
InChIInChI=1S/C10H17NO3/c1-7(2)9(10(13)14)11-6-4-3-5-8(11)12/h7,9H,3-6H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyQVYYMDJECUZHSW-VIFPVBQESA-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 (2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoic acid?
The IUPAC name of (2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoic acid (CID 15283805) is (2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoic acid is CC(C)[C@@H](C(=O)O)N1CCCCC1=O.
What is the InChIKey of (2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoic acid?
The InChIKey is QVYYMDJECUZHSW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)9(10(13)14)11-6-4-3-5-8(11)12/h7,9H,3-6H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoic acid?
(2S)-3-methyl-2-(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 (2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoic acid is sourced from PubChem (CID 15283805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).