(3S,4S)-3-[(1R)-1-hydroxyethyl]-4-(2-methylpropanoyl)azetidin-2-one

C9H15NO3 — CID 131020220

IUPAC(3S,4S)-3-[(1R)-1-hydroxyethyl]-4-(2-methylpropanoyl)azetidin-2-one
SMILESCC(C)C(=O)[C@H]1NC(=O)[C@@H]1[C@@H](C)O
InChIInChI=1S/C9H15NO3/c1-4(2)8(12)7-6(5(3)11)9(13)10-7/h4-7,11H,1-3H3,(H,10,13)/t5-,6-,7+/m1/s1
InChIKeyFPVQDTJQROVFPV-QYNIQEEDSA-N
MW185.22 g/mol
LogP-0.29
Rot. Bonds3

About (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-(2-methylpropanoyl)azetidin-2-one

(3S,4S)-3-[(1R)-1-hydroxyethyl]-4-(2-methylpropanoyl)azetidin-2-one (PubChem CID 131020220) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-(2-methylpropanoyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-[(1R)-1-hydroxyethyl]-4-(2-methylpropanoyl)azetidin-2-one
PubChem CID131020220
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(3S,4S)-3-[(1R)-1-hydroxyethyl]-4-(2-methylpropanoyl)azetidin-2-one
SMILESCC(C)C(=O)[C@H]1NC(=O)[C@@H]1[C@@H](C)O
InChIInChI=1S/C9H15NO3/c1-4(2)8(12)7-6(5(3)11)9(13)10-7/h4-7,11H,1-3H3,(H,10,13)/t5-,6-,7+/m1/s1
InChIKeyFPVQDTJQROVFPV-QYNIQEEDSA-N
XLogP-0.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-(2-methylpropanoyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-(2-methylpropanoyl)azetidin-2-one (CID 131020220) is (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-(2-methylpropanoyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-(2-methylpropanoyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-(2-methylpropanoyl)azetidin-2-one is CC(C)C(=O)[C@H]1NC(=O)[C@@H]1[C@@H](C)O.
What is the InChIKey of (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-(2-methylpropanoyl)azetidin-2-one?
The InChIKey is FPVQDTJQROVFPV-QYNIQEEDSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4(2)8(12)7-6(5(3)11)9(13)10-7/h4-7,11H,1-3H3,(H,10,13)/t5-,6-,7+/m1/s1.
What are the key properties of (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-(2-methylpropanoyl)azetidin-2-one?
(3S,4S)-3-[(1R)-1-hydroxyethyl]-4-(2-methylpropanoyl)azetidin-2-one has a molecular weight of 185.22 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[(1R)-1-hydroxyethyl]-4-(2-methylpropanoyl)azetidin-2-one is sourced from PubChem (CID 131020220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).