3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid

C11H20N2O4 — CID 64889094

IUPAC3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCCCN(C)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H20N2O4/c1-3-4-6-13(2)10(16)12-11(9(14)15)5-7-17-8-11/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyPUOCZZFFYMNYLN-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.67
Rot. Bonds5

About 3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid

3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 64889094) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID64889094
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCCCN(C)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H20N2O4/c1-3-4-6-13(2)10(16)12-11(9(14)15)5-7-17-8-11/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyPUOCZZFFYMNYLN-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 79864967
3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892035
1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197210
3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889091
4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292961
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid
CID 106917281
3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64893257
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64894088
3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64891249
3-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892666
3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892660

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 64889094) is 3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid is CCCCN(C)C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is PUOCZZFFYMNYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-4-6-13(2)10(16)12-11(9(14)15)5-7-17-8-11/h3-8H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64889094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).