(2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylic acid

C7H11F2NO3 — CID 130414998

IUPAC(2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(COC(F)F)CN1
InChIInChI=1S/C7H11F2NO3/c8-7(9)13-3-4-1-5(6(11)12)10-2-4/h4-5,7,10H,1-3H2,(H,11,12)/t4?,5-/m0/s1
InChIKeyPMSOJAUSZREXEY-AKGZTFGVSA-N
MW195.16 g/mol
LogP0.29
Rot. Bonds4

About (2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylic acid

(2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylic acid (PubChem CID 130414998) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is (2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylic acid
PubChem CID130414998
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name(2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(COC(F)F)CN1
InChIInChI=1S/C7H11F2NO3/c8-7(9)13-3-4-1-5(6(11)12)10-2-4/h4-5,7,10H,1-3H2,(H,11,12)/t4?,5-/m0/s1
InChIKeyPMSOJAUSZREXEY-AKGZTFGVSA-N
XLogP0.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Hydroxymethyl)pyrrolidine-2-carboxylic acid
CID 5318294
3-(Trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 76156400
(2S,4R)-4-(Hydroxymethyl)pyrrolidine-2-carboxylic acid
CID 45084646
L-Proline, 4-(hydroxymethyl)-, cis-
CID 55283728
(2S,4S)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid hydrochloride
CID 71755997
2-Oxa-7-azaspiro[3.4]octane-6-carboxylic acid
CID 155487338
(2S,4S)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 47003464
(2S)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 53829083
(2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 124514332
(2S)-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 162534479
(2S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
CID 14598201
trans-4-Hydroxymethyl-D-proline
CID 129630377

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylic acid (CID 130414998) is (2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(COC(F)F)CN1.
What is the InChIKey of (2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PMSOJAUSZREXEY-AKGZTFGVSA-N. The full InChI is InChI=1S/C7H11F2NO3/c8-7(9)13-3-4-1-5(6(11)12)10-2-4/h4-5,7,10H,1-3H2,(H,11,12)/t4?,5-/m0/s1.
What are the key properties of (2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylic acid?
(2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 195.16 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 130414998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).