(2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid

C6H10FNO2 — CID 154707113

IUPAC(2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid
SMILESC[C@@]1(F)CN[C@H](C(=O)O)C1
InChIInChI=1S/C6H10FNO2/c1-6(7)2-4(5(9)10)8-3-6/h4,8H,2-3H2,1H3,(H,9,10)/t4-,6-/m0/s1
InChIKeyWTQGAKOHKCSOEC-NJGYIYPDSA-N
MW147.15 g/mol
LogP0.16
Rot. Bonds1

About (2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid

(2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid (PubChem CID 154707113) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid
PubChem CID154707113
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name(2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid
SMILESC[C@@]1(F)CN[C@H](C(=O)O)C1
InChIInChI=1S/C6H10FNO2/c1-6(7)2-4(5(9)10)8-3-6/h4,8H,2-3H2,1H3,(H,9,10)/t4-,6-/m0/s1
InChIKeyWTQGAKOHKCSOEC-NJGYIYPDSA-N
XLogP0.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 170166786
(2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 54006314
(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride
CID 162760358
(2S,4S)-4-methylpyrrolidine-2,4-dicarboxylic acid
CID 131853528
(2S)-4,4-dibromopyrrolidine-2-carboxylic acid
CID 118556708
2,6-diazaspiro[3.4]octane-7-carboxylic acid
CID 165458055
(2S)-5,5-difluoropiperidine-2-carboxylic acid
CID 45082546
(3S,6S)-2-tert-butyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 59493682
4-ethyl-4-fluoropiperidine-2-carboxylic acid
CID 18446279
(3S,6S)-2-propan-2-yl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 59493460
5-amino-4,4-dimethylpiperidine-2-carboxylic acid
CID 58725270
2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid
CID 162760712

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid (CID 154707113) is (2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid is C[C@@]1(F)CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid?
The InChIKey is WTQGAKOHKCSOEC-NJGYIYPDSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-6(7)2-4(5(9)10)8-3-6/h4,8H,2-3H2,1H3,(H,9,10)/t4-,6-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid?
(2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid has a molecular weight of 147.15 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 154707113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).