(2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

C10H17F3N2O2 — CID 97237723

IUPAC(2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](C(=O)NCC(F)(F)F)N1CC[C@H](CO)C1
InChIInChI=1S/C10H17F3N2O2/c1-7(9(17)14-6-10(11,12)13)15-3-2-8(4-15)5-16/h7-8,16H,2-6H2,1H3,(H,14,17)/t7-,8-/m0/s1
InChIKeyDQPCYQOGXPFDFG-YUMQZZPRSA-N
MW254.25 g/mol
LogP0.37
Rot. Bonds4

About (2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

(2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 97237723) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID97237723
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name(2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](C(=O)NCC(F)(F)F)N1CC[C@H](CO)C1
InChIInChI=1S/C10H17F3N2O2/c1-7(9(17)14-6-10(11,12)13)15-3-2-8(4-15)5-16/h7-8,16H,2-6H2,1H3,(H,14,17)/t7-,8-/m0/s1
InChIKeyDQPCYQOGXPFDFG-YUMQZZPRSA-N
XLogP0.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 97237723) is (2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is C[C@@H](C(=O)NCC(F)(F)F)N1CC[C@H](CO)C1.
What is the InChIKey of (2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is DQPCYQOGXPFDFG-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(9(17)14-6-10(11,12)13)15-3-2-8(4-15)5-16/h7-8,16H,2-6H2,1H3,(H,14,17)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 254.25 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 97237723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).