(2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

C14H17F3N2O3 — CID 125152807

IUPAC(2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(OCC(F)(F)F)c1)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)8-22-11-3-1-2-9(4-11)6-19-13(21)12-5-10(20)7-18-12/h1-4,10,12,18,20H,5-8H2,(H,19,21)/t10-,12+/m1/s1
InChIKeyQOUYOOVKLMZEAA-PWSUYJOCSA-N
MW318.30 g/mol
LogP0.97
Rot. Bonds5

About (2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

(2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 125152807) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID125152807
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name(2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(OCC(F)(F)F)c1)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)8-22-11-3-1-2-9(4-11)6-19-13(21)12-5-10(20)7-18-12/h1-4,10,12,18,20H,5-8H2,(H,19,21)/t10-,12+/m1/s1
InChIKeyQOUYOOVKLMZEAA-PWSUYJOCSA-N
XLogP0.97
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate
CID 119787113
N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119283411
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
3-amino-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119712572
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119842520
(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 170699848
2-(2-fluorophenyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55712265
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119870347
(2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 56751667
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119741551
N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43566272
2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 119712587

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (CID 125152807) is (2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cccc(OCC(F)(F)F)c1)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is QOUYOOVKLMZEAA-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)8-22-11-3-1-2-9(4-11)6-19-13(21)12-5-10(20)7-18-12/h1-4,10,12,18,20H,5-8H2,(H,19,21)/t10-,12+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 125152807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).