3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid

C10H14FNO4 — CID 115731713

IUPAC3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(C1CCCO1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C10H14FNO4/c11-10(9(14)15)3-4-12(6-10)8(13)7-2-1-5-16-7/h7H,1-6H2,(H,14,15)
InChIKeyNHJMHKBJCUOBPE-UHFFFAOYSA-N
MW231.22 g/mol
LogP0.19
Rot. Bonds2

About 3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 115731713) has the molecular formula C10H14FNO4 and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID115731713
Molecular FormulaC10H14FNO4
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(C1CCCO1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C10H14FNO4/c11-10(9(14)15)3-4-12(6-10)8(13)7-2-1-5-16-7/h7H,1-6H2,(H,14,15)
InChIKeyNHJMHKBJCUOBPE-UHFFFAOYSA-N
XLogP0.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104855679
4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 95015441
2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone
CID 131655037
(2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone
CID 51078971
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
3-fluoro-1-[4-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119258668
1-[(6S)-4-[(2R)-oxolane-2-carbonyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 95043174
1-(2,2-dichlorocyclopropanecarbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 115731724
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
1-[(2S)-oxolane-2-carbonyl]azetidine-3-carboxylic acid
CID 104855720
[(3S,5S)-3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-[(2R)-oxolan-2-yl]methanone
CID 124914020
(3,3-diphenylpiperidin-1-yl)-(oxan-2-yl)methanone
CID 118773107

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 115731713) is 3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid is O=C(C1CCCO1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NHJMHKBJCUOBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO4/c11-10(9(14)15)3-4-12(6-10)8(13)7-2-1-5-16-7/h7H,1-6H2,(H,14,15).
What are the key properties of 3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 231.22 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115731713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).