methyl 3-(methoxyamino)-2-methylpropanoate

C6H13NO3 — CID 60702587

IUPACmethyl 3-(methoxyamino)-2-methylpropanoate
SMILESCONCC(C)C(=O)OC
InChIInChI=1S/C6H13NO3/c1-5(4-7-10-3)6(8)9-2/h5,7H,4H2,1-3H3
InChIKeyXERUYNYIOXCIQH-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.05
Rot. Bonds4

About methyl 3-(methoxyamino)-2-methylpropanoate

methyl 3-(methoxyamino)-2-methylpropanoate (PubChem CID 60702587) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl 3-(methoxyamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(methoxyamino)-2-methylpropanoate
PubChem CID60702587
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl 3-(methoxyamino)-2-methylpropanoate
SMILESCONCC(C)C(=O)OC
InChIInChI=1S/C6H13NO3/c1-5(4-7-10-3)6(8)9-2/h5,7H,4H2,1-3H3
InChIKeyXERUYNYIOXCIQH-UHFFFAOYSA-N
XLogP-0.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.05
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-(ethylamino)-2-methylpropanoate
CID 3889298
methyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate
CID 112673719
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
methyl 2-methyl-3-(2-methylpentan-3-ylamino)propanoate
CID 61469517
dimethyl (2S,7S)-2,7-dimethyloct-4-ynedioate
CID 163588468
dimethyl (2R,4S)-2-ethyl-4-methylpentanedioate
CID 101071261
methyl 2-methylbutanoate;methyl 2-methylpropanoate
CID 175395072
methyl 3-(2-hydroxyethylamino)-2-methylpropanoate
CID 43398406
methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 43566979
[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
CID 51704146
methyl 2-methyl-3-(3-methylbutanoylamino)propanoate
CID 59983678
ethyl 3-(ethoxyamino)-2-methylpropanoate
CID 64974924

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methoxyamino)-2-methylpropanoate?
The IUPAC name of methyl 3-(methoxyamino)-2-methylpropanoate (CID 60702587) is methyl 3-(methoxyamino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(methoxyamino)-2-methylpropanoate?
The canonical SMILES for methyl 3-(methoxyamino)-2-methylpropanoate is CONCC(C)C(=O)OC.
What is the InChIKey of methyl 3-(methoxyamino)-2-methylpropanoate?
The InChIKey is XERUYNYIOXCIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5(4-7-10-3)6(8)9-2/h5,7H,4H2,1-3H3.
What are the key properties of methyl 3-(methoxyamino)-2-methylpropanoate?
methyl 3-(methoxyamino)-2-methylpropanoate has a molecular weight of 147.17 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methoxyamino)-2-methylpropanoate is sourced from PubChem (CID 60702587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).