(3S,4S)-3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one

C7H13NO3 — CID 22821441

IUPAC(3S,4S)-3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one
SMILESCC(O)[C@H]1C(=O)N[C@H]1CCO
InChIInChI=1S/C7H13NO3/c1-4(10)6-5(2-3-9)8-7(6)11/h4-6,9-10H,2-3H2,1H3,(H,8,11)/t4?,5-,6+/m0/s1
InChIKeyOACJWEFFCBLNKP-DUAGOPDLSA-N
MW159.18 g/mol
LogP-1.14
Rot. Bonds3

About (3S,4S)-3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one

(3S,4S)-3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one (PubChem CID 22821441) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (3S,4S)-3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one
PubChem CID22821441
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(3S,4S)-3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one
SMILESCC(O)[C@H]1C(=O)N[C@H]1CCO
InChIInChI=1S/C7H13NO3/c1-4(10)6-5(2-3-9)8-7(6)11/h4-6,9-10H,2-3H2,1H3,(H,8,11)/t4?,5-,6+/m0/s1
InChIKeyOACJWEFFCBLNKP-DUAGOPDLSA-N
XLogP-1.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one (CID 22821441) is (3S,4S)-3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one is CC(O)[C@H]1C(=O)N[C@H]1CCO.
What is the InChIKey of (3S,4S)-3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one?
The InChIKey is OACJWEFFCBLNKP-DUAGOPDLSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4(10)6-5(2-3-9)8-7(6)11/h4-6,9-10H,2-3H2,1H3,(H,8,11)/t4?,5-,6+/m0/s1.
What are the key properties of (3S,4S)-3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one?
(3S,4S)-3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one has a molecular weight of 159.18 g/mol, XLogP of -1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one is sourced from PubChem (CID 22821441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).