(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one

C17H20N2O4 — CID 124503214

IUPAC(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one
SMILESCOc1ccc(CN2C(=O)[C@H](N)[C@@H]2c2ccc(C)o2)cc1OC
InChIInChI=1S/C17H20N2O4/c1-10-4-6-13(23-10)16-15(18)17(20)19(16)9-11-5-7-12(21-2)14(8-11)22-3/h4-8,15-16H,9,18H2,1-3H3/t15-,16+/m1/s1
InChIKeyHTYDLQHASXTDHG-CVEARBPZSA-N
MW316.36 g/mol
LogP2.02
Rot. Bonds5

About (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one

(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one (PubChem CID 124503214) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one
PubChem CID124503214
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one
SMILESCOc1ccc(CN2C(=O)[C@H](N)[C@@H]2c2ccc(C)o2)cc1OC
InChIInChI=1S/C17H20N2O4/c1-10-4-6-13(23-10)16-15(18)17(20)19(16)9-11-5-7-12(21-2)14(8-11)22-3/h4-8,15-16H,9,18H2,1-3H3/t15-,16+/m1/s1
InChIKeyHTYDLQHASXTDHG-CVEARBPZSA-N
XLogP2.02
TPSA77.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one (CID 124503214) is (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one is COc1ccc(CN2C(=O)[C@H](N)[C@@H]2c2ccc(C)o2)cc1OC.
What is the InChIKey of (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one?
The InChIKey is HTYDLQHASXTDHG-CVEARBPZSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10-4-6-13(23-10)16-15(18)17(20)19(16)9-11-5-7-12(21-2)14(8-11)22-3/h4-8,15-16H,9,18H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one?
(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one has a molecular weight of 316.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one is sourced from PubChem (CID 124503214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).