(3S)-3-[(1S)-1-hydroxyethyl]-1-(4-phenylbutanoyl)azetidin-2-one

C15H19NO3 — CID 45484089

IUPAC(3S)-3-[(1S)-1-hydroxyethyl]-1-(4-phenylbutanoyl)azetidin-2-one
SMILESC[C@H](O)[C@@H]1CN(C(=O)CCCc2ccccc2)C1=O
InChIInChI=1S/C15H19NO3/c1-11(17)13-10-16(15(13)19)14(18)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,13,17H,5,8-10H2,1H3/t11-,13-/m0/s1
InChIKeyNLWUCSQCTXKXJK-AAEUAGOBSA-N
MW261.32 g/mol
LogP1.38
Rot. Bonds5

About (3S)-3-[(1S)-1-hydroxyethyl]-1-(4-phenylbutanoyl)azetidin-2-one

(3S)-3-[(1S)-1-hydroxyethyl]-1-(4-phenylbutanoyl)azetidin-2-one (PubChem CID 45484089) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3S)-3-[(1S)-1-hydroxyethyl]-1-(4-phenylbutanoyl)azetidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(1S)-1-hydroxyethyl]-1-(4-phenylbutanoyl)azetidin-2-one
PubChem CID45484089
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(3S)-3-[(1S)-1-hydroxyethyl]-1-(4-phenylbutanoyl)azetidin-2-one
SMILESC[C@H](O)[C@@H]1CN(C(=O)CCCc2ccccc2)C1=O
InChIInChI=1S/C15H19NO3/c1-11(17)13-10-16(15(13)19)14(18)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,13,17H,5,8-10H2,1H3/t11-,13-/m0/s1
InChIKeyNLWUCSQCTXKXJK-AAEUAGOBSA-N
XLogP1.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1S)-1-hydroxyethyl]-1-(4-phenylbutanoyl)azetidin-2-one?
The IUPAC name of (3S)-3-[(1S)-1-hydroxyethyl]-1-(4-phenylbutanoyl)azetidin-2-one (CID 45484089) is (3S)-3-[(1S)-1-hydroxyethyl]-1-(4-phenylbutanoyl)azetidin-2-one.
What is the SMILES notation for (3S)-3-[(1S)-1-hydroxyethyl]-1-(4-phenylbutanoyl)azetidin-2-one?
The canonical SMILES for (3S)-3-[(1S)-1-hydroxyethyl]-1-(4-phenylbutanoyl)azetidin-2-one is C[C@H](O)[C@@H]1CN(C(=O)CCCc2ccccc2)C1=O.
What is the InChIKey of (3S)-3-[(1S)-1-hydroxyethyl]-1-(4-phenylbutanoyl)azetidin-2-one?
The InChIKey is NLWUCSQCTXKXJK-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(17)13-10-16(15(13)19)14(18)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,13,17H,5,8-10H2,1H3/t11-,13-/m0/s1.
What are the key properties of (3S)-3-[(1S)-1-hydroxyethyl]-1-(4-phenylbutanoyl)azetidin-2-one?
(3S)-3-[(1S)-1-hydroxyethyl]-1-(4-phenylbutanoyl)azetidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1S)-1-hydroxyethyl]-1-(4-phenylbutanoyl)azetidin-2-one is sourced from PubChem (CID 45484089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).