2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid

C13H19F3N2O3 — CID 81164780

IUPAC2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)C2(C(F)(F)F)CCNC2)CCC1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)12(4-5-17-8-12)10(21)18-7-11(2-1-3-11)6-9(19)20/h17H,1-8H2,(H,18,21)(H,19,20)
InChIKeyIIQQUYJVCJTZFV-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.29
Rot. Bonds5

About 2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 81164780) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID81164780
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)C2(C(F)(F)F)CCNC2)CCC1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)12(4-5-17-8-12)10(21)18-7-11(2-1-3-11)6-9(19)20/h17H,1-8H2,(H,18,21)(H,19,20)
InChIKeyIIQQUYJVCJTZFV-UHFFFAOYSA-N
XLogP1.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid
CID 64699770
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 105417276
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81161716
N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708236
N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709149
N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710909
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790
(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 51647572
2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 104596692
N-(2-hydroxy-2-methylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106292003

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid (CID 81164780) is 2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)C2(C(F)(F)F)CCNC2)CCC1.
What is the InChIKey of 2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is IIQQUYJVCJTZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c14-13(15,16)12(4-5-17-8-12)10(21)18-7-11(2-1-3-11)6-9(19)20/h17H,1-8H2,(H,18,21)(H,19,20).
What are the key properties of 2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 308.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).