2-methylpropyl 2-[methoxycarbonyl(methyl)amino]acetate

C9H17NO4 — CID 91703037

IUPAC2-methylpropyl 2-[methoxycarbonyl(methyl)amino]acetate
SMILESCOC(=O)N(C)CC(=O)OCC(C)C
InChIInChI=1S/C9H17NO4/c1-7(2)6-14-8(11)5-10(3)9(12)13-4/h7H,5-6H2,1-4H3
InChIKeyBZWVRIAMYUYYOR-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.88
Rot. Bonds4

About 2-methylpropyl 2-[methoxycarbonyl(methyl)amino]acetate

2-methylpropyl 2-[methoxycarbonyl(methyl)amino]acetate (PubChem CID 91703037) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-methylpropyl 2-[methoxycarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[methoxycarbonyl(methyl)amino]acetate
PubChem CID91703037
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-methylpropyl 2-[methoxycarbonyl(methyl)amino]acetate
SMILESCOC(=O)N(C)CC(=O)OCC(C)C
InChIInChI=1S/C9H17NO4/c1-7(2)6-14-8(11)5-10(3)9(12)13-4/h7H,5-6H2,1-4H3
InChIKeyBZWVRIAMYUYYOR-UHFFFAOYSA-N
XLogP0.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[methoxycarbonyl(methyl)amino]acetate?
The IUPAC name of 2-methylpropyl 2-[methoxycarbonyl(methyl)amino]acetate (CID 91703037) is 2-methylpropyl 2-[methoxycarbonyl(methyl)amino]acetate.
What is the SMILES notation for 2-methylpropyl 2-[methoxycarbonyl(methyl)amino]acetate?
The canonical SMILES for 2-methylpropyl 2-[methoxycarbonyl(methyl)amino]acetate is COC(=O)N(C)CC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-[methoxycarbonyl(methyl)amino]acetate?
The InChIKey is BZWVRIAMYUYYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-7(2)6-14-8(11)5-10(3)9(12)13-4/h7H,5-6H2,1-4H3.
What are the key properties of 2-methylpropyl 2-[methoxycarbonyl(methyl)amino]acetate?
2-methylpropyl 2-[methoxycarbonyl(methyl)amino]acetate has a molecular weight of 203.24 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[methoxycarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91703037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).