(3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid

C10H16FNO3 — CID 156514321

IUPAC(3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid
SMILESCC(C)(C)C1[C@H](F)C(=O)CCN1C(=O)O
InChIInChI=1S/C10H16FNO3/c1-10(2,3)8-7(11)6(13)4-5-12(8)9(14)15/h7-8H,4-5H2,1-3H3,(H,14,15)/t7-,8?/m1/s1
InChIKeyATEKKHARYCGLNB-GVHYBUMESA-N
MW217.24 g/mol
LogP1.69
Rot. Bonds

About (3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid

(3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid (PubChem CID 156514321) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is (3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid
PubChem CID156514321
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name(3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid
SMILESCC(C)(C)C1[C@H](F)C(=O)CCN1C(=O)O
InChIInChI=1S/C10H16FNO3/c1-10(2,3)8-7(11)6(13)4-5-12(8)9(14)15/h7-8H,4-5H2,1-3H3,(H,14,15)/t7-,8?/m1/s1
InChIKeyATEKKHARYCGLNB-GVHYBUMESA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid?
The IUPAC name of (3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid (CID 156514321) is (3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid.
What is the SMILES notation for (3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid?
The canonical SMILES for (3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid is CC(C)(C)C1[C@H](F)C(=O)CCN1C(=O)O.
What is the InChIKey of (3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid?
The InChIKey is ATEKKHARYCGLNB-GVHYBUMESA-N. The full InChI is InChI=1S/C10H16FNO3/c1-10(2,3)8-7(11)6(13)4-5-12(8)9(14)15/h7-8H,4-5H2,1-3H3,(H,14,15)/t7-,8?/m1/s1.
What are the key properties of (3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid?
(3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid has a molecular weight of 217.24 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid is sourced from PubChem (CID 156514321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).