(4S)-3-[(2R)-2-methyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C17H23NO4 — CID 12892392

IUPAC(4S)-3-[(2R)-2-methyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@H](C)COCc1ccccc1
InChIInChI=1S/C17H23NO4/c1-12(2)15-11-22-17(20)18(15)16(19)13(3)9-21-10-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3/t13-,15-/m1/s1
InChIKeyAEAHUGUUXLDTKH-UKRRQHHQSA-N
MW305.37 g/mol
LogP2.84
Rot. Bonds6

About (4S)-3-[(2R)-2-methyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2R)-2-methyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 12892392) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (4S)-3-[(2R)-2-methyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R)-2-methyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID12892392
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(4S)-3-[(2R)-2-methyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@H](C)COCc1ccccc1
InChIInChI=1S/C17H23NO4/c1-12(2)15-11-22-17(20)18(15)16(19)13(3)9-21-10-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3/t13-,15-/m1/s1
InChIKeyAEAHUGUUXLDTKH-UKRRQHHQSA-N
XLogP2.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R)-2-methyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R)-2-methyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 12892392) is (4S)-3-[(2R)-2-methyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R)-2-methyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R)-2-methyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)[C@H](C)COCc1ccccc1.
What is the InChIKey of (4S)-3-[(2R)-2-methyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is AEAHUGUUXLDTKH-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12(2)15-11-22-17(20)18(15)16(19)13(3)9-21-10-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of (4S)-3-[(2R)-2-methyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2R)-2-methyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 305.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R)-2-methyl-3-phenylmethoxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 12892392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).