(3S)-3-[(1R)-1-hydroxyethyl]-1-(5-phenylpentanoyl)azetidin-2-one

C16H21NO3 — CID 44550699

IUPAC(3S)-3-[(1R)-1-hydroxyethyl]-1-(5-phenylpentanoyl)azetidin-2-one
SMILESC[C@@H](O)[C@@H]1CN(C(=O)CCCCc2ccccc2)C1=O
InChIInChI=1S/C16H21NO3/c1-12(18)14-11-17(16(14)20)15(19)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,12,14,18H,5-6,9-11H2,1H3/t12-,14+/m1/s1
InChIKeyBLQHKONSSIRELF-OCCSQVGLSA-N
MW275.35 g/mol
LogP1.77
Rot. Bonds6

About (3S)-3-[(1R)-1-hydroxyethyl]-1-(5-phenylpentanoyl)azetidin-2-one

(3S)-3-[(1R)-1-hydroxyethyl]-1-(5-phenylpentanoyl)azetidin-2-one (PubChem CID 44550699) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-hydroxyethyl]-1-(5-phenylpentanoyl)azetidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-hydroxyethyl]-1-(5-phenylpentanoyl)azetidin-2-one
PubChem CID44550699
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(3S)-3-[(1R)-1-hydroxyethyl]-1-(5-phenylpentanoyl)azetidin-2-one
SMILESC[C@@H](O)[C@@H]1CN(C(=O)CCCCc2ccccc2)C1=O
InChIInChI=1S/C16H21NO3/c1-12(18)14-11-17(16(14)20)15(19)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,12,14,18H,5-6,9-11H2,1H3/t12-,14+/m1/s1
InChIKeyBLQHKONSSIRELF-OCCSQVGLSA-N
XLogP1.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-hydroxyethyl]-1-(5-phenylpentanoyl)azetidin-2-one?
The IUPAC name of (3S)-3-[(1R)-1-hydroxyethyl]-1-(5-phenylpentanoyl)azetidin-2-one (CID 44550699) is (3S)-3-[(1R)-1-hydroxyethyl]-1-(5-phenylpentanoyl)azetidin-2-one.
What is the SMILES notation for (3S)-3-[(1R)-1-hydroxyethyl]-1-(5-phenylpentanoyl)azetidin-2-one?
The canonical SMILES for (3S)-3-[(1R)-1-hydroxyethyl]-1-(5-phenylpentanoyl)azetidin-2-one is C[C@@H](O)[C@@H]1CN(C(=O)CCCCc2ccccc2)C1=O.
What is the InChIKey of (3S)-3-[(1R)-1-hydroxyethyl]-1-(5-phenylpentanoyl)azetidin-2-one?
The InChIKey is BLQHKONSSIRELF-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(18)14-11-17(16(14)20)15(19)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,12,14,18H,5-6,9-11H2,1H3/t12-,14+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-hydroxyethyl]-1-(5-phenylpentanoyl)azetidin-2-one?
(3S)-3-[(1R)-1-hydroxyethyl]-1-(5-phenylpentanoyl)azetidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-hydroxyethyl]-1-(5-phenylpentanoyl)azetidin-2-one is sourced from PubChem (CID 44550699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).