(2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide

C14H17F3N2O2 — CID 97337783

IUPAC(2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide
SMILESC[C@H](O)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H17F3N2O2/c1-9(20)13(21)18-11-6-7-19(8-11)12-4-2-10(3-5-12)14(15,16)17/h2-5,9,11,20H,6-8H2,1H3,(H,18,21)/t9-,11-/m0/s1
InChIKeyIGOZVJMXCVWRBW-ONGXEEELSA-N
MW302.30 g/mol
LogP1.78
Rot. Bonds3

About (2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide

(2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide (PubChem CID 97337783) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide
PubChem CID97337783
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name(2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide
SMILESC[C@H](O)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H17F3N2O2/c1-9(20)13(21)18-11-6-7-19(8-11)12-4-2-10(3-5-12)14(15,16)17/h2-5,9,11,20H,6-8H2,1H3,(H,18,21)/t9-,11-/m0/s1
InChIKeyIGOZVJMXCVWRBW-ONGXEEELSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide
CID 165043198
2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide
CID 146302542
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
5-methyl-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 97214039
2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302539
N-[(3R)-1-[4-[(3S)-2-oxo-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]phenyl]pyrrolidin-3-yl]acetamide
CID 159119575
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine
CID 103976672
(3S)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 97232134
1-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 167939837
(2S,3S)-N-[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-hydroxy-2-(methylamino)butanamide
CID 66997431
N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 124508544
(3S)-N-[(1R)-1-pyrazin-2-ylethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 97232131

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of (2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide (CID 97337783) is (2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for (2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide is C[C@H](O)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide?
The InChIKey is IGOZVJMXCVWRBW-ONGXEEELSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9(20)13(21)18-11-6-7-19(8-11)12-4-2-10(3-5-12)14(15,16)17/h2-5,9,11,20H,6-8H2,1H3,(H,18,21)/t9-,11-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide?
(2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide has a molecular weight of 302.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 97337783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).