(3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one

C19H25F3N2O2 — CID 130192775

IUPAC(3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one
SMILESC[C@@H]1CC[C@@H](C)N1N1C(=O)[C@H](OCc2ccccc2)[C@@H]1CCC(F)(F)F
InChIInChI=1S/C19H25F3N2O2/c1-13-8-9-14(2)23(13)24-16(10-11-19(20,21)22)17(18(24)25)26-12-15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3/t13-,14-,16+,17-/m1/s1
InChIKeyIPDBEJNULSYUOZ-TXCZRRACSA-N
MW370.42 g/mol
LogP3.91
Rot. Bonds6

About (3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one

(3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one (PubChem CID 130192775) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is (3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one
PubChem CID130192775
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name(3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one
SMILESC[C@@H]1CC[C@@H](C)N1N1C(=O)[C@H](OCc2ccccc2)[C@@H]1CCC(F)(F)F
InChIInChI=1S/C19H25F3N2O2/c1-13-8-9-14(2)23(13)24-16(10-11-19(20,21)22)17(18(24)25)26-12-15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3/t13-,14-,16+,17-/m1/s1
InChIKeyIPDBEJNULSYUOZ-TXCZRRACSA-N
XLogP3.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one?
The IUPAC name of (3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one (CID 130192775) is (3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one is C[C@@H]1CC[C@@H](C)N1N1C(=O)[C@H](OCc2ccccc2)[C@@H]1CCC(F)(F)F.
What is the InChIKey of (3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one?
The InChIKey is IPDBEJNULSYUOZ-TXCZRRACSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-13-8-9-14(2)23(13)24-16(10-11-19(20,21)22)17(18(24)25)26-12-15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3/t13-,14-,16+,17-/m1/s1.
What are the key properties of (3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one?
(3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one has a molecular weight of 370.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one is sourced from PubChem (CID 130192775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).