(4R)-1-benzyl-4-(1,2-dihydroxyethyl)azetidin-2-one

C12H15NO3 — CID 13130101

IUPAC(4R)-1-benzyl-4-(1,2-dihydroxyethyl)azetidin-2-one
SMILESO=C1C[C@H](C(O)CO)N1Cc1ccccc1
InChIInChI=1S/C12H15NO3/c14-8-11(15)10-6-12(16)13(10)7-9-4-2-1-3-5-9/h1-5,10-11,14-15H,6-8H2/t10-,11?/m1/s1
InChIKeyLSAPGFINFSNIIN-NFJWQWPMSA-N
MW221.26 g/mol
LogP0.14
Rot. Bonds4

About (4R)-1-benzyl-4-(1,2-dihydroxyethyl)azetidin-2-one

(4R)-1-benzyl-4-(1,2-dihydroxyethyl)azetidin-2-one (PubChem CID 13130101) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (4R)-1-benzyl-4-(1,2-dihydroxyethyl)azetidin-2-one.

Molecular Properties

Compound Name(4R)-1-benzyl-4-(1,2-dihydroxyethyl)azetidin-2-one
PubChem CID13130101
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(4R)-1-benzyl-4-(1,2-dihydroxyethyl)azetidin-2-one
SMILESO=C1C[C@H](C(O)CO)N1Cc1ccccc1
InChIInChI=1S/C12H15NO3/c14-8-11(15)10-6-12(16)13(10)7-9-4-2-1-3-5-9/h1-5,10-11,14-15H,6-8H2/t10-,11?/m1/s1
InChIKeyLSAPGFINFSNIIN-NFJWQWPMSA-N
XLogP0.14
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-benzyl-4-(1,2-dihydroxyethyl)azetidin-2-one?
The IUPAC name of (4R)-1-benzyl-4-(1,2-dihydroxyethyl)azetidin-2-one (CID 13130101) is (4R)-1-benzyl-4-(1,2-dihydroxyethyl)azetidin-2-one.
What is the SMILES notation for (4R)-1-benzyl-4-(1,2-dihydroxyethyl)azetidin-2-one?
The canonical SMILES for (4R)-1-benzyl-4-(1,2-dihydroxyethyl)azetidin-2-one is O=C1C[C@H](C(O)CO)N1Cc1ccccc1.
What is the InChIKey of (4R)-1-benzyl-4-(1,2-dihydroxyethyl)azetidin-2-one?
The InChIKey is LSAPGFINFSNIIN-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H15NO3/c14-8-11(15)10-6-12(16)13(10)7-9-4-2-1-3-5-9/h1-5,10-11,14-15H,6-8H2/t10-,11?/m1/s1.
What are the key properties of (4R)-1-benzyl-4-(1,2-dihydroxyethyl)azetidin-2-one?
(4R)-1-benzyl-4-(1,2-dihydroxyethyl)azetidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-benzyl-4-(1,2-dihydroxyethyl)azetidin-2-one is sourced from PubChem (CID 13130101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).