methylamino 3,3-dimethoxy-2-methylprop-2-enoate

C7H13NO4 — CID 174299491

IUPACmethylamino 3,3-dimethoxy-2-methylprop-2-enoate
SMILESCNOC(=O)C(C)=C(OC)OC
InChIInChI=1S/C7H13NO4/c1-5(6(9)12-8-2)7(10-3)11-4/h8H,1-4H3
InChIKeyPIVRKICXJCDWPR-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.19
Rot. Bonds4

About methylamino 3,3-dimethoxy-2-methylprop-2-enoate

methylamino 3,3-dimethoxy-2-methylprop-2-enoate (PubChem CID 174299491) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is methylamino 3,3-dimethoxy-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethylamino 3,3-dimethoxy-2-methylprop-2-enoate
PubChem CID174299491
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namemethylamino 3,3-dimethoxy-2-methylprop-2-enoate
SMILESCNOC(=O)C(C)=C(OC)OC
InChIInChI=1S/C7H13NO4/c1-5(6(9)12-8-2)7(10-3)11-4/h8H,1-4H3
InChIKeyPIVRKICXJCDWPR-UHFFFAOYSA-N
XLogP0.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methylamino 2-aminoprop-2-enoate
CID 155065198
N-methoxymethanamine;propan-2-yl acetate
CID 158428721
dimethyl 2,3,4,5-tetramethylhexa-2,4-dienedioate
CID 131887550
methylamino carbonofluoridate
CID 143060000
chloromethane;methylamino 2-methylidenebutanoate
CID 159451589
dimethyl oxalate
CID 11120
methyl acetate;ruthenium
CID 160799101
methylamino 2-methylhept-2-enoate
CID 174825179
tetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate
CID 100993196
methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate
CID 166928500
methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate
CID 15971438
copper;methyl acetate
CID 174340034

Frequently Asked Questions

What is the IUPAC name of methylamino 3,3-dimethoxy-2-methylprop-2-enoate?
The IUPAC name of methylamino 3,3-dimethoxy-2-methylprop-2-enoate (CID 174299491) is methylamino 3,3-dimethoxy-2-methylprop-2-enoate.
What is the SMILES notation for methylamino 3,3-dimethoxy-2-methylprop-2-enoate?
The canonical SMILES for methylamino 3,3-dimethoxy-2-methylprop-2-enoate is CNOC(=O)C(C)=C(OC)OC.
What is the InChIKey of methylamino 3,3-dimethoxy-2-methylprop-2-enoate?
The InChIKey is PIVRKICXJCDWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-5(6(9)12-8-2)7(10-3)11-4/h8H,1-4H3.
What are the key properties of methylamino 3,3-dimethoxy-2-methylprop-2-enoate?
methylamino 3,3-dimethoxy-2-methylprop-2-enoate has a molecular weight of 175.18 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino 3,3-dimethoxy-2-methylprop-2-enoate is sourced from PubChem (CID 174299491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).