4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid

C13H22N2O6 — CID 104762336

IUPAC4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCOC1(CNC(=O)NC(=O)CC(C)(C)C(=O)O)CCOC1
InChIInChI=1S/C13H22N2O6/c1-12(2,10(17)18)6-9(16)15-11(19)14-7-13(20-3)4-5-21-8-13/h4-8H2,1-3H3,(H,17,18)(H2,14,15,16,19)
InChIKeyFHHZOVBYSQECMA-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.12
Rot. Bonds6

About 4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid

4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 104762336) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID104762336
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCOC1(CNC(=O)NC(=O)CC(C)(C)C(=O)O)CCOC1
InChIInChI=1S/C13H22N2O6/c1-12(2,10(17)18)6-9(16)15-11(19)14-7-13(20-3)4-5-21-8-13/h4-8H2,1-3H3,(H,17,18)(H2,14,15,16,19)
InChIKeyFHHZOVBYSQECMA-UHFFFAOYSA-N
XLogP0.12
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid with MolForge

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Related Compounds

2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide
CID 104764443
5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid
CID 104762334
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
CID 104764175
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid
CID 104764205
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004
2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide
CID 104764442
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116537472
3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104761520
5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid
CID 104759098
1-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 104764320

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid (CID 104762336) is 4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid is COC1(CNC(=O)NC(=O)CC(C)(C)C(=O)O)CCOC1.
What is the InChIKey of 4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is FHHZOVBYSQECMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-12(2,10(17)18)6-9(16)15-11(19)14-7-13(20-3)4-5-21-8-13/h4-8H2,1-3H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid?
4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 302.33 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 104762336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).