(3R)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-2-one

C19H23N3O — CID 175298549

IUPAC(3R)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-2-one
SMILESN[C@@H](CCc1ccccc1)CN[C@@H]1CN(c2ccccc2)C1=O
InChIInChI=1S/C19H23N3O/c20-16(12-11-15-7-3-1-4-8-15)13-21-18-14-22(19(18)23)17-9-5-2-6-10-17/h1-10,16,18,21H,11-14,20H2/t16-,18+/m0/s1
InChIKeyYTRCTGSJQPBKSD-FUHWJXTLSA-N
MW309.41 g/mol
LogP1.95
Rot. Bonds7

About (3R)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-2-one

(3R)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-2-one (PubChem CID 175298549) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (3R)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-2-one
PubChem CID175298549
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(3R)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-2-one
SMILESN[C@@H](CCc1ccccc1)CN[C@@H]1CN(c2ccccc2)C1=O
InChIInChI=1S/C19H23N3O/c20-16(12-11-15-7-3-1-4-8-15)13-21-18-14-22(19(18)23)17-9-5-2-6-10-17/h1-10,16,18,21H,11-14,20H2/t16-,18+/m0/s1
InChIKeyYTRCTGSJQPBKSD-FUHWJXTLSA-N
XLogP1.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-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)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-2-one?
The IUPAC name of (3R)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-2-one (CID 175298549) is (3R)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-2-one.
What is the SMILES notation for (3R)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-2-one?
The canonical SMILES for (3R)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-2-one is N[C@@H](CCc1ccccc1)CN[C@@H]1CN(c2ccccc2)C1=O.
What is the InChIKey of (3R)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-2-one?
The InChIKey is YTRCTGSJQPBKSD-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H23N3O/c20-16(12-11-15-7-3-1-4-8-15)13-21-18-14-22(19(18)23)17-9-5-2-6-10-17/h1-10,16,18,21H,11-14,20H2/t16-,18+/m0/s1.
What are the key properties of (3R)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-2-one?
(3R)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-2-one has a molecular weight of 309.41 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-2-one is sourced from PubChem (CID 175298549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).