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

C11H18N2O4 — CID 64892035

IUPAC3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(CC1CC1)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H18N2O4/c1-13(6-8-2-3-8)10(16)12-11(9(14)15)4-5-17-7-11/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyBTQHEKDFHOCFDJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.28
Rot. Bonds4

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

3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 64892035) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID64892035
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(CC1CC1)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H18N2O4/c1-13(6-8-2-3-8)10(16)12-11(9(14)15)4-5-17-7-11/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyBTQHEKDFHOCFDJ-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892270
3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64893257
3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889094
3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 79864967
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61443760
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61443714
3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889091
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid
CID 106917281
4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292842
3-(cyclopropylmethylamino)oxolane-3-carboxylic acid
CID 63333220
1-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 62856425
3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid
CID 103925898

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 64892035) is 3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid is CN(CC1CC1)C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is BTQHEKDFHOCFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-13(6-8-2-3-8)10(16)12-11(9(14)15)4-5-17-7-11/h8H,2-7H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64892035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).