(3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)azetidin-2-one

C17H14N2O5 — CID 124503701

IUPAC(3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)azetidin-2-one
SMILESN[C@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccc2c(c1)OCO2
InChIInChI=1S/C17H14N2O5/c18-15-16(9-1-3-11-13(5-9)23-7-21-11)19(17(15)20)10-2-4-12-14(6-10)24-8-22-12/h1-6,15-16H,7-8,18H2/t15-,16-/m1/s1
InChIKeyGTAINGLNQBNMFF-HZPDHXFCSA-N
MW326.31 g/mol
LogP1.56
Rot. Bonds2

About (3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)azetidin-2-one

(3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)azetidin-2-one (PubChem CID 124503701) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is (3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)azetidin-2-one
PubChem CID124503701
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name(3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)azetidin-2-one
SMILESN[C@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccc2c(c1)OCO2
InChIInChI=1S/C17H14N2O5/c18-15-16(9-1-3-11-13(5-9)23-7-21-11)19(17(15)20)10-2-4-12-14(6-10)24-8-22-12/h1-6,15-16H,7-8,18H2/t15-,16-/m1/s1
InChIKeyGTAINGLNQBNMFF-HZPDHXFCSA-N
XLogP1.56
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)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

Related Compounds

(3S,4S)-3-amino-4-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)azetidin-2-one
CID 124503589
3-amino-1-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)azetidin-2-one
CID 102536959
3-amino-4-(1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)azetidin-2-one
CID 102536977
(3S,4R)-3-amino-4-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504201
(3R,4R)-3-amino-4-(1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503645
(3S,4S)-3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)azetidin-2-one
CID 124503796
(3S,4S)-3-amino-4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidin-2-one
CID 124503824
(3S,4S)-3-amino-1-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)azetidin-2-one
CID 124503716
(3R,4S)-3-amino-1-(1,3-benzodioxol-5-yl)-4-(2-chlorophenyl)azetidin-2-one
CID 124503706
(3R,4R)-3-amino-4-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidin-2-one
CID 124503817
6-amino-1-(1,3-benzodioxol-5-yl)-1,3-diazinane-2,4-dione
CID 45041096
4-amino-1-(1,3-benzodioxol-5-yl)-5-methylpyrrolidin-2-one
CID 117022552

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)azetidin-2-one (CID 124503701) is (3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)azetidin-2-one is N[C@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccc2c(c1)OCO2.
What is the InChIKey of (3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)azetidin-2-one?
The InChIKey is GTAINGLNQBNMFF-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H14N2O5/c18-15-16(9-1-3-11-13(5-9)23-7-21-11)19(17(15)20)10-2-4-12-14(6-10)24-8-22-12/h1-6,15-16H,7-8,18H2/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)azetidin-2-one?
(3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)azetidin-2-one has a molecular weight of 326.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-1,4-bis(1,3-benzodioxol-5-yl)azetidin-2-one is sourced from PubChem (CID 124503701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).