1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H12F3NO3 — CID 55226512

IUPAC1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(C1CC1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H12F3NO3/c11-10(12,13)9(8(16)17)3-4-14(5-9)7(15)6-1-2-6/h6H,1-5H2,(H,16,17)
InChIKeyUTKVALCHOSWPNQ-UHFFFAOYSA-N
MW251.20 g/mol
LogP1.26
Rot. Bonds2

About 1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 55226512) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID55226512
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC Name1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(C1CC1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H12F3NO3/c11-10(12,13)9(8(16)17)3-4-14(5-9)7(15)6-1-2-6/h6H,1-5H2,(H,16,17)
InChIKeyUTKVALCHOSWPNQ-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 16784378
5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
CID 24704733
1-Acetyl-3-methylpyrrolidine-3-carboxylic acid
CID 63142868
1-(2,2,2-Trifluoroacetyl)pyrrolidine-3-carboxylic acid
CID 21076133
(3S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid
CID 58222841
3-(Fluoromethyl)pyrrolidine-1,3-dicarboxylic acid
CID 66787783
3-(Difluoromethyl)pyrrolidine-1,3-dicarboxylic acid
CID 91098926
4-(Trifluoromethyl)pyrrolidine-1,3-dicarboxylic acid
CID 140122896
1-(3-Fluoropyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 175794836
1-Methoxycarbonylpyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 175932024
(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
CID 28204609
(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
CID 28204611

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 55226512) is 1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(C1CC1)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UTKVALCHOSWPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3/c11-10(12,13)9(8(16)17)3-4-14(5-9)7(15)6-1-2-6/h6H,1-5H2,(H,16,17).
What are the key properties of 1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 251.20 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55226512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).