3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid

C14H26N2O4 — CID 83028908

IUPAC3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid
SMILESCCC1(CC)CC(NC(=O)NCC(C)C(=O)O)CCO1
InChIInChI=1S/C14H26N2O4/c1-4-14(5-2)8-11(6-7-20-14)16-13(19)15-9-10(3)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyVWZNXDXVWQZOOT-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.74
Rot. Bonds6

About 3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid

3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid (PubChem CID 83028908) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid
PubChem CID83028908
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid
SMILESCCC1(CC)CC(NC(=O)NCC(C)C(=O)O)CCO1
InChIInChI=1S/C14H26N2O4/c1-4-14(5-2)8-11(6-7-20-14)16-13(19)15-9-10(3)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyVWZNXDXVWQZOOT-UHFFFAOYSA-N
XLogP1.74
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid (CID 83028908) is 3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid is CCC1(CC)CC(NC(=O)NCC(C)C(=O)O)CCO1.
What is the InChIKey of 3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid?
The InChIKey is VWZNXDXVWQZOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-14(5-2)8-11(6-7-20-14)16-13(19)15-9-10(3)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid?
3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 83028908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).