(2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one

C16H21NO2 — CID 95325747

IUPAC(2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one
SMILESC[C@@H](OCC1CC1)C(=O)N1CC[C@H]1c1ccccc1
InChIInChI=1S/C16H21NO2/c1-12(19-11-13-7-8-13)16(18)17-10-9-15(17)14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3/t12-,15+/m1/s1
InChIKeyZTQFPKNPLVDRDD-DOMZBBRYSA-N
MW259.35 g/mol
LogP2.78
Rot. Bonds5

About (2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one

(2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one (PubChem CID 95325747) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one
PubChem CID95325747
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one
SMILESC[C@@H](OCC1CC1)C(=O)N1CC[C@H]1c1ccccc1
InChIInChI=1S/C16H21NO2/c1-12(19-11-13-7-8-13)16(18)17-10-9-15(17)14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3/t12-,15+/m1/s1
InChIKeyZTQFPKNPLVDRDD-DOMZBBRYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid
CID 89060544
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-one
CID 86951239
2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 112685654
(2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one
CID 95601906
(2S)-2-(cyclopropylmethoxy)-1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one
CID 95601907
(2S)-2-(cyclopropylmethoxy)-1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]propan-1-one
CID 95175061
(2R)-1-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one
CID 99579305
3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one
CID 47034527
3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid
CID 64897035
(2S)-2-(4-methoxyphenoxy)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
CID 51929991
5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 104683709
3,5-dimethyl-3-(2-phenylazetidine-1-carbonyl)hexanoic acid
CID 132970867

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one (CID 95325747) is (2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one is C[C@@H](OCC1CC1)C(=O)N1CC[C@H]1c1ccccc1.
What is the InChIKey of (2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one?
The InChIKey is ZTQFPKNPLVDRDD-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(19-11-13-7-8-13)16(18)17-10-9-15(17)14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3/t12-,15+/m1/s1.
What are the key properties of (2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one?
(2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one has a molecular weight of 259.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one is sourced from PubChem (CID 95325747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).