4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid

C13H23NO5 — CID 112602262

IUPAC4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)COC(C)(C)C)C1COCC1C(=O)O
InChIInChI=1S/C13H23NO5/c1-5-14(11(15)8-19-13(2,3)4)10-7-18-6-9(10)12(16)17/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyOQVBYEZHWIWFSJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.75
Rot. Bonds5

About 4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 112602262) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid
PubChem CID112602262
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)COC(C)(C)C)C1COCC1C(=O)O
InChIInChI=1S/C13H23NO5/c1-5-14(11(15)8-19-13(2,3)4)10-7-18-6-9(10)12(16)17/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyOQVBYEZHWIWFSJ-UHFFFAOYSA-N
XLogP0.75
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66246837
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449
4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66246021
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246028
4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
CID 66246438
4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid
CID 103018900
4-[[2-(cyanomethylsulfanyl)acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66247828
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid
CID 66245055
4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 102779661
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid (CID 112602262) is 4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid is CCN(C(=O)COC(C)(C)C)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is OQVBYEZHWIWFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-5-14(11(15)8-19-13(2,3)4)10-7-18-6-9(10)12(16)17/h9-10H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 112602262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).