[dimethylcarbamoyl(methoxy)amino] 2-methylpropanoate

C8H16N2O4 — CID 86213569

IUPAC[dimethylcarbamoyl(methoxy)amino] 2-methylpropanoate
SMILESCON(OC(=O)C(C)C)C(=O)N(C)C
InChIInChI=1S/C8H16N2O4/c1-6(2)7(11)14-10(13-5)8(12)9(3)4/h6H,1-5H3
InChIKeyMQHDGOJZVNJHJZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.65
Rot. Bonds2

About [dimethylcarbamoyl(methoxy)amino] 2-methylpropanoate

[dimethylcarbamoyl(methoxy)amino] 2-methylpropanoate (PubChem CID 86213569) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is [dimethylcarbamoyl(methoxy)amino] 2-methylpropanoate.

Molecular Properties

Compound Name[dimethylcarbamoyl(methoxy)amino] 2-methylpropanoate
PubChem CID86213569
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name[dimethylcarbamoyl(methoxy)amino] 2-methylpropanoate
SMILESCON(OC(=O)C(C)C)C(=O)N(C)C
InChIInChI=1S/C8H16N2O4/c1-6(2)7(11)14-10(13-5)8(12)9(3)4/h6H,1-5H3
InChIKeyMQHDGOJZVNJHJZ-UHFFFAOYSA-N
XLogP0.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dimethylamino 2-methylpropanoate;hydrochloride
CID 90220610
methyl 2-methylpropanoate;titanium
CID 174633551
1,1,3,3-tetramethylurea;urea
CID 158796669
[3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate
CID 134364570
1,3-dimethoxy-1,3-dimethylurea
CID 11159391
1,1-diamino-3,3-dimethylurea
CID 154021119
methyl (2R)-2-(dimethylamino)propanoate
CID 30030726
CID 173197860
CID 173197860
[(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate
CID 163669019
[1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate
CID 153181636
1-(2-hydroxypropyl)-1,3,3-trimethylurea
CID 79153852
[(2R)-1-aminopropan-2-yl] 2-methylpropanoate
CID 87536097

Frequently Asked Questions

What is the IUPAC name of [dimethylcarbamoyl(methoxy)amino] 2-methylpropanoate?
The IUPAC name of [dimethylcarbamoyl(methoxy)amino] 2-methylpropanoate (CID 86213569) is [dimethylcarbamoyl(methoxy)amino] 2-methylpropanoate.
What is the SMILES notation for [dimethylcarbamoyl(methoxy)amino] 2-methylpropanoate?
The canonical SMILES for [dimethylcarbamoyl(methoxy)amino] 2-methylpropanoate is CON(OC(=O)C(C)C)C(=O)N(C)C.
What is the InChIKey of [dimethylcarbamoyl(methoxy)amino] 2-methylpropanoate?
The InChIKey is MQHDGOJZVNJHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-6(2)7(11)14-10(13-5)8(12)9(3)4/h6H,1-5H3.
What are the key properties of [dimethylcarbamoyl(methoxy)amino] 2-methylpropanoate?
[dimethylcarbamoyl(methoxy)amino] 2-methylpropanoate has a molecular weight of 204.23 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylcarbamoyl(methoxy)amino] 2-methylpropanoate is sourced from PubChem (CID 86213569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).