(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one

C17H18N2O3 — CID 124503866

IUPAC(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
SMILESCOc1cccc([C@H]2[C@@H](N)C(=O)N2c2cccc(OC)c2)c1
InChIInChI=1S/C17H18N2O3/c1-21-13-7-3-5-11(9-13)16-15(18)17(20)19(16)12-6-4-8-14(10-12)22-2/h3-10,15-16H,18H2,1-2H3/t15-,16+/m1/s1
InChIKeyAHZUWXRMCSFCAV-CVEARBPZSA-N
MW298.34 g/mol
LogP2.12
Rot. Bonds4

About (3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one

(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one (PubChem CID 124503866) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
PubChem CID124503866
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
SMILESCOc1cccc([C@H]2[C@@H](N)C(=O)N2c2cccc(OC)c2)c1
InChIInChI=1S/C17H18N2O3/c1-21-13-7-3-5-11(9-13)16-15(18)17(20)19(16)12-6-4-8-14(10-12)22-2/h3-10,15-16H,18H2,1-2H3/t15-,16+/m1/s1
InChIKeyAHZUWXRMCSFCAV-CVEARBPZSA-N
XLogP2.12
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-3-amino-4-(3-methoxyphenyl)-1-(4-methylphenyl)azetidin-2-one
CID 124503588
(3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124503922
(3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503855
(3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124504031
(3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124504145
(3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one
CID 124676535
3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 102537012
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503896
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
CID 102537099
3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536929
(3R,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 124503279

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one (CID 124503866) is (3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one is COc1cccc([C@H]2[C@@H](N)C(=O)N2c2cccc(OC)c2)c1.
What is the InChIKey of (3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one?
The InChIKey is AHZUWXRMCSFCAV-CVEARBPZSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-21-13-7-3-5-11(9-13)16-15(18)17(20)19(16)12-6-4-8-14(10-12)22-2/h3-10,15-16H,18H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of (3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one?
(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one has a molecular weight of 298.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 124503866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).