4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid

C15H19NO5 — CID 66238376

IUPAC4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)CCOc1ccccc1)C1COCC1C(=O)O
InChIInChI=1S/C15H19NO5/c1-16(13-10-20-9-12(13)15(18)19)14(17)7-8-21-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,19)
InChIKeyXGCFIOLUBABXSY-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.01
Rot. Bonds6

About 4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid

4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66238376) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid
PubChem CID66238376
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)CCOc1ccccc1)C1COCC1C(=O)O
InChIInChI=1S/C15H19NO5/c1-16(13-10-20-9-12(13)15(18)19)14(17)7-8-21-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,19)
InChIKeyXGCFIOLUBABXSY-UHFFFAOYSA-N
XLogP1.01
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[3-(2-methylphenyl)propanoyl]amino]oxolane-3-carboxylic acid
CID 66235536
4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 66238169
4-[3-(4-aminophenyl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 115341532
4-[hexanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236749
4-[3-(3-bromophenyl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 66236542
4-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
CID 66236759
4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 66235417
4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235946
4-[4-(5-bromothiophen-2-yl)butanoyl-methylamino]oxolane-3-carboxylic acid
CID 66235528
N-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide
CID 79119469
4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid
CID 66221172
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid (CID 66238376) is 4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid is CN(C(=O)CCOc1ccccc1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is XGCFIOLUBABXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-16(13-10-20-9-12(13)15(18)19)14(17)7-8-21-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,19).
What are the key properties of 4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid?
4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).