(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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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).