methyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]propanoate

C10H21NO3 — CID 82724655

IUPACmethyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]propanoate
SMILESCOC(=O)C(C)(C)CNOC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-9(2,3)14-11-7-10(4,5)8(12)13-6/h11H,7H2,1-6H3
InChIKeyUKCHOJVVXKPPAU-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.51
Rot. Bonds4

About methyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]propanoate

methyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]propanoate (PubChem CID 82724655) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]propanoate
PubChem CID82724655
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]propanoate
SMILESCOC(=O)C(C)(C)CNOC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-9(2,3)14-11-7-10(4,5)8(12)13-6/h11H,7H2,1-6H3
InChIKeyUKCHOJVVXKPPAU-UHFFFAOYSA-N
XLogP1.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate
CID 79629121
2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 58200142
methane;methyl 2,2-dimethylbutanoate
CID 161256043
methyl 3-butoxy-2,2-dimethylpropanoate
CID 79623220
methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate
CID 106939453
methyl 2,2-dimethyl-3-(3-methylsulfanylpropylamino)propanoate
CID 79623355
methyl 2,2-dimethyl-3-(prop-2-enylamino)propanoate
CID 13049576
methyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate
CID 79623523
methyl 3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)diazenyl]-2,2-dimethylpropanoate
CID 141343255
methyl 2,2-dimethyl-3-(3-propoxypropylamino)propanoate
CID 82944131
methyl 2,2-dimethyl-3-(2,3,3-trimethylbutylamino)propanoate
CID 83143662
methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate
CID 106096239

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]propanoate (CID 82724655) is methyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]propanoate is COC(=O)C(C)(C)CNOC(C)(C)C.
What is the InChIKey of methyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]propanoate?
The InChIKey is UKCHOJVVXKPPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(2,3)14-11-7-10(4,5)8(12)13-6/h11H,7H2,1-6H3.
What are the key properties of methyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]propanoate?
methyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]propanoate has a molecular weight of 203.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]propanoate is sourced from PubChem (CID 82724655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).