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

C11H21NO4 — CID 91714213

IUPAC2-methylpropyl 2-[methyl(propoxycarbonyl)amino]acetate
SMILESCCCOC(=O)N(C)CC(=O)OCC(C)C
InChIInChI=1S/C11H21NO4/c1-5-6-15-11(14)12(4)7-10(13)16-8-9(2)3/h9H,5-8H2,1-4H3
InChIKeyDXXCMXSQTVQWQM-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.66
Rot. Bonds6

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

2-methylpropyl 2-[methyl(propoxycarbonyl)amino]acetate (PubChem CID 91714213) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-methylpropyl 2-[methyl(propoxycarbonyl)amino]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[methyl(propoxycarbonyl)amino]acetate
PubChem CID91714213
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-methylpropyl 2-[methyl(propoxycarbonyl)amino]acetate
SMILESCCCOC(=O)N(C)CC(=O)OCC(C)C
InChIInChI=1S/C11H21NO4/c1-5-6-15-11(14)12(4)7-10(13)16-8-9(2)3/h9H,5-8H2,1-4H3
InChIKeyDXXCMXSQTVQWQM-UHFFFAOYSA-N
XLogP1.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[methyl(propoxycarbonyl)amino]acetate?
The IUPAC name of 2-methylpropyl 2-[methyl(propoxycarbonyl)amino]acetate (CID 91714213) is 2-methylpropyl 2-[methyl(propoxycarbonyl)amino]acetate.
What is the SMILES notation for 2-methylpropyl 2-[methyl(propoxycarbonyl)amino]acetate?
The canonical SMILES for 2-methylpropyl 2-[methyl(propoxycarbonyl)amino]acetate is CCCOC(=O)N(C)CC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-[methyl(propoxycarbonyl)amino]acetate?
The InChIKey is DXXCMXSQTVQWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-6-15-11(14)12(4)7-10(13)16-8-9(2)3/h9H,5-8H2,1-4H3.
What are the key properties of 2-methylpropyl 2-[methyl(propoxycarbonyl)amino]acetate?
2-methylpropyl 2-[methyl(propoxycarbonyl)amino]acetate has a molecular weight of 231.29 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[methyl(propoxycarbonyl)amino]acetate is sourced from PubChem (CID 91714213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).