(2S)-2-acetamido-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-4-methylpentanamide

C17H22FN3O3 — CID 124889607

IUPAC(2S)-2-acetamido-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-4-methylpentanamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H22FN3O3/c1-10(2)8-14(19-11(3)22)16(23)20-15-9-21(17(15)24)13-6-4-12(18)5-7-13/h4-7,10,14-15H,8-9H2,1-3H3,(H,19,22)(H,20,23)/t14-,15-/m0/s1
InChIKeyWJQDSDVHSCHNFR-GJZGRUSLSA-N
MW335.38 g/mol
LogP1.21
Rot. Bonds6

About (2S)-2-acetamido-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-4-methylpentanamide

(2S)-2-acetamido-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-4-methylpentanamide (PubChem CID 124889607) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-4-methylpentanamide
PubChem CID124889607
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name(2S)-2-acetamido-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-4-methylpentanamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H22FN3O3/c1-10(2)8-14(19-11(3)22)16(23)20-15-9-21(17(15)24)13-6-4-12(18)5-7-13/h4-7,10,14-15H,8-9H2,1-3H3,(H,19,22)(H,20,23)/t14-,15-/m0/s1
InChIKeyWJQDSDVHSCHNFR-GJZGRUSLSA-N
XLogP1.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-acetamido-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-4-methylpentanamide (CID 124889607) is (2S)-2-acetamido-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-acetamido-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-4-methylpentanamide is CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O.
What is the InChIKey of (2S)-2-acetamido-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-4-methylpentanamide?
The InChIKey is WJQDSDVHSCHNFR-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-10(2)8-14(19-11(3)22)16(23)20-15-9-21(17(15)24)13-6-4-12(18)5-7-13/h4-7,10,14-15H,8-9H2,1-3H3,(H,19,22)(H,20,23)/t14-,15-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-4-methylpentanamide?
(2S)-2-acetamido-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-4-methylpentanamide has a molecular weight of 335.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-4-methylpentanamide is sourced from PubChem (CID 124889607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).