3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid

C15H26N2O4 — CID 79359495

IUPAC3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C15H26N2O4/c1-13(2)9(14(13,3)4)6-16-12(20)17-10-7-21-8-15(10,5)11(18)19/h9-10H,6-8H2,1-5H3,(H,18,19)(H2,16,17,20)
InChIKeyJMNXGORZSGWJCG-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.46
Rot. Bonds4

About 3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid

3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 79359495) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID79359495
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C15H26N2O4/c1-13(2)9(14(13,3)4)6-16-12(20)17-10-7-21-8-15(10,5)11(18)19/h9-10H,6-8H2,1-5H3,(H,18,19)(H2,16,17,20)
InChIKeyJMNXGORZSGWJCG-UHFFFAOYSA-N
XLogP1.46
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66248978
3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66249187
3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid
CID 66249979
4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66250740
4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66248963
4-acetamido-3-methyloxolane-3-carboxylic acid
CID 66256805
3-methyl-4-(2-prop-2-enylsulfanylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 114187962
3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid
CID 114174525
3-methyl-4-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 114469245
4-(butanoylamino)-3-methyloxolane-3-carboxylic acid
CID 66255086
4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid
CID 66255483
3-methyl-4-(2-thiophen-2-ylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66250926

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid (CID 79359495) is 3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)NCC1C(C)(C)C1(C)C.
What is the InChIKey of 3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is JMNXGORZSGWJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-13(2)9(14(13,3)4)6-16-12(20)17-10-7-21-8-15(10,5)11(18)19/h9-10H,6-8H2,1-5H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79359495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).