(3S,4R)-4-phenyl-3-(propylamino)azetidin-2-one

C12H16N2O — CID 118328038

IUPAC(3S,4R)-4-phenyl-3-(propylamino)azetidin-2-one
SMILESCCCN[C@@H]1C(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-8-13-11-10(14-12(11)15)9-6-4-3-5-7-9/h3-7,10-11,13H,2,8H2,1H3,(H,14,15)/t10-,11+/m1/s1
InChIKeyZPCIKDLSGRBVOU-MNOVXSKESA-N
MW204.27 g/mol
LogP1.23
Rot. Bonds4

About (3S,4R)-4-phenyl-3-(propylamino)azetidin-2-one

(3S,4R)-4-phenyl-3-(propylamino)azetidin-2-one (PubChem CID 118328038) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-3-(propylamino)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-3-(propylamino)azetidin-2-one
PubChem CID118328038
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3S,4R)-4-phenyl-3-(propylamino)azetidin-2-one
SMILESCCCN[C@@H]1C(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-8-13-11-10(14-12(11)15)9-6-4-3-5-7-9/h3-7,10-11,13H,2,8H2,1H3,(H,14,15)/t10-,11+/m1/s1
InChIKeyZPCIKDLSGRBVOU-MNOVXSKESA-N
XLogP1.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-3-ethyl-4-phenylazetidin-2-one
CID 7056749
5-phenyl-4-propan-2-yl-N-propylpyrazolidin-3-amine
CID 76985888
2-phenyl-3-(propylamino)-1,2-dihydropyrrol-5-one
CID 139223934
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
(3S,4S)-3-fluoro-4-phenylazetidin-2-one
CID 101430981
2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine
CID 64651096
(4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one
CID 154994053
2-butyl-4-phenyl-N-propylcyclohexan-1-amine
CID 63401101
2-methyl-3-phenyl-N-propylcyclobutan-1-amine
CID 81417285
4,4-diphenyl-N-propylcyclohexan-1-amine
CID 154370118
2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide
CID 54382038
(1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 101018229

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-3-(propylamino)azetidin-2-one?
The IUPAC name of (3S,4R)-4-phenyl-3-(propylamino)azetidin-2-one (CID 118328038) is (3S,4R)-4-phenyl-3-(propylamino)azetidin-2-one.
What is the SMILES notation for (3S,4R)-4-phenyl-3-(propylamino)azetidin-2-one?
The canonical SMILES for (3S,4R)-4-phenyl-3-(propylamino)azetidin-2-one is CCCN[C@@H]1C(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenyl-3-(propylamino)azetidin-2-one?
The InChIKey is ZPCIKDLSGRBVOU-MNOVXSKESA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-8-13-11-10(14-12(11)15)9-6-4-3-5-7-9/h3-7,10-11,13H,2,8H2,1H3,(H,14,15)/t10-,11+/m1/s1.
What are the key properties of (3S,4R)-4-phenyl-3-(propylamino)azetidin-2-one?
(3S,4R)-4-phenyl-3-(propylamino)azetidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-3-(propylamino)azetidin-2-one is sourced from PubChem (CID 118328038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).