(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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Related Compounds

[(1R)-1-[(3S)-1-hex-5-enoyl-2-oxoazetidin-3-yl]ethyl] 4-phenylbutanoate
CID 44549231
(3S)-1-pent-4-enoyl-3-[(1R)-1-(4-phenylbutoxy)ethyl]azetidin-2-one
CID 54669772
1-[(4R)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one
CID 154496222
[(2R,3R)-3-[(1R)-1-hydroxyethyl]-4-oxo-1-(3-phenylpropanoyl)azetidin-2-yl] acetate
CID 44550695
[(2R,3R)-3-[(1R)-1-hydroxyethyl]-4-oxo-1-(4-phenylbutanoyl)azetidin-2-yl] acetate
CID 44550696
1-(3-Phenylpropanoyl)-(3S)-3-[1(R)-hydroxyethyl]-azetidin-2-one
CID 44550697
(3S)-3-[(1R)-1-hydroxyethyl]-1-(5-phenylpentanoyl)azetidin-2-one
CID 44550699
1-[(3S)-3-Hydroxypyrrolidin-1-YL]-3-(2-methylphenyl)butan-1-one
CID 71922612
1-[(4S)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one
CID 162973411
1-(4-hydroxy-3,4-dihydro-2H-pyridin-1-yl)-3-phenylpropan-1-one
CID 10922366
1-(4-Hydroxypiperidin-1-yl)-2-phenylethan-1-one
CID 28345218
1-(4-Hydroxypiperidin-1-yl)-2-phenylbutan-1-one
CID 45844030

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).