methyl 2-[methyl(3-methylbutyl)amino]acetate

C9H19NO2 — CID 19424455

IUPACmethyl 2-[methyl(3-methylbutyl)amino]acetate
SMILESCOC(=O)CN(C)CCC(C)C
InChIInChI=1S/C9H19NO2/c1-8(2)5-6-10(3)7-9(11)12-4/h8H,5-7H2,1-4H3
InChIKeyGXJWTUKAEVEARC-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.14
Rot. Bonds5

About methyl 2-[methyl(3-methylbutyl)amino]acetate

methyl 2-[methyl(3-methylbutyl)amino]acetate (PubChem CID 19424455) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl 2-[methyl(3-methylbutyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(3-methylbutyl)amino]acetate
PubChem CID19424455
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl 2-[methyl(3-methylbutyl)amino]acetate
SMILESCOC(=O)CN(C)CCC(C)C
InChIInChI=1S/C9H19NO2/c1-8(2)5-6-10(3)7-9(11)12-4/h8H,5-7H2,1-4H3
InChIKeyGXJWTUKAEVEARC-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(3-methylbutyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(3-methylbutyl)amino]acetate (CID 19424455) is methyl 2-[methyl(3-methylbutyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(3-methylbutyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(3-methylbutyl)amino]acetate is COC(=O)CN(C)CCC(C)C.
What is the InChIKey of methyl 2-[methyl(3-methylbutyl)amino]acetate?
The InChIKey is GXJWTUKAEVEARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)5-6-10(3)7-9(11)12-4/h8H,5-7H2,1-4H3.
What are the key properties of methyl 2-[methyl(3-methylbutyl)amino]acetate?
methyl 2-[methyl(3-methylbutyl)amino]acetate has a molecular weight of 173.26 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(3-methylbutyl)amino]acetate is sourced from PubChem (CID 19424455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).