(2R)-2-[[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid

C16H18F4N2O3 — CID 155146557

IUPAC(2R)-2-[[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H]1CNC1(c2ccc(F)c(OC(F)(F)F)c2)CC1
InChIInChI=1S/C16H18F4N2O3/c17-12-4-3-10(8-13(12)25-16(18,19)20)15(5-6-15)21-9-11-2-1-7-22(11)14(23)24/h3-4,8,11,21H,1-2,5-7,9H2,(H,23,24)/t11-/m1/s1
InChIKeySIASJAUIPLLWHW-LLVKDONJSA-N
MW362.32 g/mol
LogP3.45
Rot. Bonds5

About (2R)-2-[[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid

(2R)-2-[[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid (PubChem CID 155146557) has the molecular formula C16H18F4N2O3 and a molecular weight of 362.32 g/mol. Its IUPAC name is (2R)-2-[[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid
PubChem CID155146557
Molecular FormulaC16H18F4N2O3
Molecular Weight362.32 g/mol
Exact Mass362.13
IUPAC Name(2R)-2-[[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H]1CNC1(c2ccc(F)c(OC(F)(F)F)c2)CC1
InChIInChI=1S/C16H18F4N2O3/c17-12-4-3-10(8-13(12)25-16(18,19)20)15(5-6-15)21-9-11-2-1-7-22(11)14(23)24/h3-4,8,11,21H,1-2,5-7,9H2,(H,23,24)/t11-/m1/s1
InChIKeySIASJAUIPLLWHW-LLVKDONJSA-N
XLogP3.45
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate
CID 155699132
tert-butyl (2S)-2-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]azetidine-1-carboxylate
CID 155699119
(2R)-2-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-methoxycarbonylamino]methyl]pyrrolidine-1-carboxylic acid
CID 155146303
2-[[cyclopropyloxycarbonyl-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 155146299
(2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid
CID 90464997
(2S)-2-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-propan-2-yloxycarbonylamino]methyl]pyrrolidine-1-carboxylic acid
CID 155146624
[3-amino-4-(trifluoromethoxy)phenyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107209973
(4-chloro-2-fluorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484658
(2S)-2-[[5-amino-2-(1,1,2,2,2-pentafluoroethyl)phenoxy]methyl]pyrrolidine-1-carboxylic acid
CID 123182921
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 10298609
2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 114840396
[2-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11597275

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid (CID 155146557) is (2R)-2-[[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCC[C@@H]1CNC1(c2ccc(F)c(OC(F)(F)F)c2)CC1.
What is the InChIKey of (2R)-2-[[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid?
The InChIKey is SIASJAUIPLLWHW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18F4N2O3/c17-12-4-3-10(8-13(12)25-16(18,19)20)15(5-6-15)21-9-11-2-1-7-22(11)14(23)24/h3-4,8,11,21H,1-2,5-7,9H2,(H,23,24)/t11-/m1/s1.
What are the key properties of (2R)-2-[[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid?
(2R)-2-[[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid has a molecular weight of 362.32 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 155146557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).