methyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate

C8H15NO3 — CID 142792159

IUPACmethyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate
SMILESCOC(=O)C/N=C(\OC)C(C)C
InChIInChI=1S/C8H15NO3/c1-6(2)8(12-4)9-5-7(10)11-3/h6H,5H2,1-4H3/b9-8-
InChIKeyGCKMNQHSROHKRA-HJWRWDBZSA-N
MW173.21 g/mol
LogP0.86
Rot. Bonds3

About methyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate

methyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate (PubChem CID 142792159) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate
PubChem CID142792159
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate
SMILESCOC(=O)C/N=C(\OC)C(C)C
InChIInChI=1S/C8H15NO3/c1-6(2)8(12-4)9-5-7(10)11-3/h6H,5H2,1-4H3/b9-8-
InChIKeyGCKMNQHSROHKRA-HJWRWDBZSA-N
XLogP0.86
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate?
The IUPAC name of methyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate (CID 142792159) is methyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate.
What is the SMILES notation for methyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate?
The canonical SMILES for methyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate is COC(=O)C/N=C(\OC)C(C)C.
What is the InChIKey of methyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate?
The InChIKey is GCKMNQHSROHKRA-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2)8(12-4)9-5-7(10)11-3/h6H,5H2,1-4H3/b9-8-.
What are the key properties of methyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate?
methyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate has a molecular weight of 173.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate is sourced from PubChem (CID 142792159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).