(3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one

C8H15NO2 — CID 13051148

IUPAC(3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one
SMILESCC(C)[C@H]1C(=O)N[C@@H]1CCO
InChIInChI=1S/C8H15NO2/c1-5(2)7-6(3-4-10)9-8(7)11/h5-7,10H,3-4H2,1-2H3,(H,9,11)/t6-,7-/m1/s1
InChIKeyQKFABPUOJMTLQR-RNFRBKRXSA-N
MW157.21 g/mol
LogP0.14
Rot. Bonds3

About (3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one

(3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one (PubChem CID 13051148) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one
PubChem CID13051148
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one
SMILESCC(C)[C@H]1C(=O)N[C@@H]1CCO
InChIInChI=1S/C8H15NO2/c1-5(2)7-6(3-4-10)9-8(7)11/h5-7,10H,3-4H2,1-2H3,(H,9,11)/t6-,7-/m1/s1
InChIKeyQKFABPUOJMTLQR-RNFRBKRXSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-Fluoropropan-2-yl)-4-oxoazetidin-2-yl]acetic acid
CID 20154194
cis-3-Ethyl-4-(2'-hydroxyethyl)-2-azetidinone
CID 11768687
(3s,4s)-3-Ethyl-4-hydroxyethyl-azetidinone
CID 13619049
3-Isopropyl-4-(2-hydroxyethyl)azetidinone
CID 13051147
3-Ethyl-4-(2-hydroxyethyl)-azetidin-2-one
CID 13619047
(3R,4S)-3-ethyl-4-(2-hydroxyethyl)azetidin-2-one
CID 13619048
4-(2-Hydroxyethyl)-3-methylazetidin-2-one
CID 14328998
(3R,4S)-4-(2-hydroxyethyl)-3-methylazetidin-2-one
CID 14328999
4-(1-Hydroxypropan-2-yl)azetidin-2-one
CID 15573267
3-Isopropyl-4-(2-acetoxyethyl)-azetidinone
CID 19993909
3-(1-Hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one
CID 19993959
(3S,4S)-3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one
CID 22821441

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one?
The IUPAC name of (3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one (CID 13051148) is (3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one?
The canonical SMILES for (3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one is CC(C)[C@H]1C(=O)N[C@@H]1CCO.
What is the InChIKey of (3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one?
The InChIKey is QKFABPUOJMTLQR-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)7-6(3-4-10)9-8(7)11/h5-7,10H,3-4H2,1-2H3,(H,9,11)/t6-,7-/m1/s1.
What are the key properties of (3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one?
(3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one is sourced from PubChem (CID 13051148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).