4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid

C14H26N2O4 — CID 66266524

IUPAC4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCC(C)CN(C(=O)N(C)C1COCC1C(=O)O)C(C)C
InChIInChI=1S/C14H26N2O4/c1-9(2)6-16(10(3)4)14(19)15(5)12-8-20-7-11(12)13(17)18/h9-12H,6-8H2,1-5H3,(H,17,18)
InChIKeyBRJSTXNQJOYZAF-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.50
Rot. Bonds5

About 4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid

4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66266524) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66266524
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCC(C)CN(C(=O)N(C)C1COCC1C(=O)O)C(C)C
InChIInChI=1S/C14H26N2O4/c1-9(2)6-16(10(3)4)14(19)15(5)12-8-20-7-11(12)13(17)18/h9-12H,6-8H2,1-5H3,(H,17,18)
InChIKeyBRJSTXNQJOYZAF-UHFFFAOYSA-N
XLogP1.50
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267114
4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66266526
4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267313
4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267321
4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 66237430
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 83146395
4-[ethyl(3-methylbutyl)amino]oxolane-3-carboxylic acid
CID 66245116
4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267863
4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66267510
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 102865773
4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid
CID 66267091

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 66266524) is 4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid is CC(C)CN(C(=O)N(C)C1COCC1C(=O)O)C(C)C.
What is the InChIKey of 4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is BRJSTXNQJOYZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-9(2)6-16(10(3)4)14(19)15(5)12-8-20-7-11(12)13(17)18/h9-12H,6-8H2,1-5H3,(H,17,18).
What are the key properties of 4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid?
4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66266524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).