3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid

C15H17NO6 — CID 23252650

IUPAC3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid
SMILESCC1OC(=O)C(CCC(=O)O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H17NO6/c1-10-16(12(14(19)22-10)7-8-13(17)18)15(20)21-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,17,18)
InChIKeyHXRBBSDZQSZGCD-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.76
Rot. Bonds5

About 3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid

3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid (PubChem CID 23252650) has the molecular formula C15H17NO6 and a molecular weight of 307.30 g/mol. Its IUPAC name is 3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid
PubChem CID23252650
Molecular FormulaC15H17NO6
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid
SMILESCC1OC(=O)C(CCC(=O)O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H17NO6/c1-10-16(12(14(19)22-10)7-8-13(17)18)15(20)21-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,17,18)
InChIKeyHXRBBSDZQSZGCD-UHFFFAOYSA-N
XLogP1.76
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 10198836
benzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 22400746
benzyl (2S,4S)-2-tert-butyl-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 57221945
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
benzyl (2R,4S)-2-tert-butyl-4-(methylsulfanylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 146465305
benzyl (3S,5S,6R)-3-(4-iodobutyl)-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 11365118
benzyl (2S,3S,5R)-3-hydroxy-2,5-dimethylpyrrolidine-1-carboxylate
CID 59273085
dibenzyl 2,5-dioxo-3,6-bis(3-oxobutyl)piperazine-1,4-dicarboxylate
CID 59837887
(2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 178202280
benzyl 2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 54133253
benzyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]-5-methylpyrrolidine-1-carboxylate
CID 23626155
benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 57066025

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid?
The IUPAC name of 3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid (CID 23252650) is 3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid?
The canonical SMILES for 3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid is CC1OC(=O)C(CCC(=O)O)N1C(=O)OCc1ccccc1.
What is the InChIKey of 3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid?
The InChIKey is HXRBBSDZQSZGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6/c1-10-16(12(14(19)22-10)7-8-13(17)18)15(20)21-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,17,18).
What are the key properties of 3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid?
3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid has a molecular weight of 307.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid is sourced from PubChem (CID 23252650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).