3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid

C11H20N2O5 — CID 64891249

IUPAC3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCOCC(C)N(C)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H20N2O5/c1-8(6-17-3)13(2)10(16)12-11(9(14)15)4-5-18-7-11/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyLKCSNISCXKXEJA-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.09
Rot. Bonds5

About 3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid

3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 64891249) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID64891249
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCOCC(C)N(C)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H20N2O5/c1-8(6-17-3)13(2)10(16)12-11(9(14)15)4-5-18-7-11/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyLKCSNISCXKXEJA-UHFFFAOYSA-N
XLogP-0.09
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2,2-Trifluoroethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64889275
3-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64891045
3-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64891660
3-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64891855
3-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892050
3-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892051
3-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893287
3-(3,3,3-Trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid
CID 64893496
3-[[Methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 65536776
4-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66238551
4-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239571
4-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239572

Frequently Asked Questions

What is the IUPAC name of 3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 64891249) is 3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid is COCC(C)N(C)C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is LKCSNISCXKXEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-8(6-17-3)13(2)10(16)12-11(9(14)15)4-5-18-7-11/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64891249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).