4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid

C13H24N2O5 — CID 66267313

IUPAC4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)N(C)C1COCC1C(=O)O)C(C)COC
InChIInChI=1S/C13H24N2O5/c1-5-15(9(2)6-19-4)13(18)14(3)11-8-20-7-10(11)12(16)17/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeyZUXSFKJWFYYNAZ-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.49
Rot. Bonds6

About 4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid

4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid (PubChem CID 66267313) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
PubChem CID66267313
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)N(C)C1COCC1C(=O)O)C(C)COC
InChIInChI=1S/C13H24N2O5/c1-5-15(9(2)6-19-4)13(18)14(3)11-8-20-7-10(11)12(16)17/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeyZUXSFKJWFYYNAZ-UHFFFAOYSA-N
XLogP0.49
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267114
4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266524
4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66266526
4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267696
4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246734
4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid
CID 66251760
4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66235786
4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267321
4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid
CID 79814802
4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
CID 66246438
4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid
CID 114145124
4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66267510

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid (CID 66267313) is 4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid is CCN(C(=O)N(C)C1COCC1C(=O)O)C(C)COC.
What is the InChIKey of 4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
The InChIKey is ZUXSFKJWFYYNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-5-15(9(2)6-19-4)13(18)14(3)11-8-20-7-10(11)12(16)17/h9-11H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid has a molecular weight of 288.34 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66267313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).