(3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one

C7H13NO2 — CID 10012015

IUPAC(3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one
SMILESCC(C)C[C@@H]1NC(=O)[C@@H]1O
InChIInChI=1S/C7H13NO2/c1-4(2)3-5-6(9)7(10)8-5/h4-6,9H,3H2,1-2H3,(H,8,10)/t5-,6+/m0/s1
InChIKeyCNYWEOKDRLOJIZ-NTSWFWBYSA-N
MW143.19 g/mol
LogP-0.11
Rot. Bonds2

About (3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one

(3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one (PubChem CID 10012015) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one
PubChem CID10012015
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one
SMILESCC(C)C[C@@H]1NC(=O)[C@@H]1O
InChIInChI=1S/C7H13NO2/c1-4(2)3-5-6(9)7(10)8-5/h4-6,9H,3H2,1-2H3,(H,8,10)/t5-,6+/m0/s1
InChIKeyCNYWEOKDRLOJIZ-NTSWFWBYSA-N
XLogP-0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-2-hydroxy-5-methyl-hexanoic acid (3-methyl-butyl)-amide
CID 44360285
(3R,4S)-4-tert-butyl-3-hydroxyazetidin-2-one
CID 11228860
(3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one
CID 11446396
(3R,4S)-4-cyclohexyl-3-hydroxy-2-azetidinone
CID 11819439
(3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide
CID 13848636
(3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide
CID 14010040
(3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide;hydrochloride
CID 18632877
(4S)-4-(1-hydroxypropyl)azetidin-2-one
CID 18638683
(3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one
CID 20735660
(3S)-3-amino-N-(2,2-dimethylpropyl)-2-hydroxy-5-methylhexanamide
CID 21971161
4-Tert-butyl-3-hydroxyazetidin-2-one
CID 22382229
3-amino-N-cyclopentyl-2-hydroxy-5-methylhexanamide
CID 23297897

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one (CID 10012015) is (3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one is CC(C)C[C@@H]1NC(=O)[C@@H]1O.
What is the InChIKey of (3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one?
The InChIKey is CNYWEOKDRLOJIZ-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4(2)3-5-6(9)7(10)8-5/h4-6,9H,3H2,1-2H3,(H,8,10)/t5-,6+/m0/s1.
What are the key properties of (3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one?
(3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one is sourced from PubChem (CID 10012015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).