(2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide

C12H21F3N2O2 — CID 94112660

IUPAC(2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@H](OCC(F)(F)F)C(=O)NC[C@@H](C)N1CCCC1
InChIInChI=1S/C12H21F3N2O2/c1-9(17-5-3-4-6-17)7-16-11(18)10(2)19-8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18)/t9-,10+/m1/s1
InChIKeyBMTPNCKDZLENNG-ZJUUUORDSA-N
MW282.31 g/mol
LogP1.55
Rot. Bonds6

About (2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide

(2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 94112660) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID94112660
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name(2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@H](OCC(F)(F)F)C(=O)NC[C@@H](C)N1CCCC1
InChIInChI=1S/C12H21F3N2O2/c1-9(17-5-3-4-6-17)7-16-11(18)10(2)19-8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18)/t9-,10+/m1/s1
InChIKeyBMTPNCKDZLENNG-ZJUUUORDSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225924
(2R)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 51943619
2-methyl-3-oxo-3-(2-pyrrolidin-1-ylpropylamino)propanoic acid
CID 114898830
(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 113353389
N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957846
(2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 107570261
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745
2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 54899691
2-pyrrolidin-1-ylpropylurea
CID 112728366
(2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide
CID 61173580
N-(4-pyrrolidin-1-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 42960613
2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 114328963

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 94112660) is (2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide is C[C@H](OCC(F)(F)F)C(=O)NC[C@@H](C)N1CCCC1.
What is the InChIKey of (2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is BMTPNCKDZLENNG-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9(17-5-3-4-6-17)7-16-11(18)10(2)19-8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18)/t9-,10+/m1/s1.
What are the key properties of (2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide?
(2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 282.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 94112660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).