2-methylpropyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate

C11H19NO4 — CID 91713123

IUPAC2-methylpropyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)OCC(C)C
InChIInChI=1S/C11H19NO4/c1-5-6-15-11(14)12(4)7-10(13)16-8-9(2)3/h5,9H,1,6-8H2,2-4H3
InChIKeyXBXPLCYDEGTNOJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.44
Rot. Bonds6

About 2-methylpropyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate

2-methylpropyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate (PubChem CID 91713123) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-methylpropyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
PubChem CID91713123
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-methylpropyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)OCC(C)C
InChIInChI=1S/C11H19NO4/c1-5-6-15-11(14)12(4)7-10(13)16-8-9(2)3/h5,9H,1,6-8H2,2-4H3
InChIKeyXBXPLCYDEGTNOJ-UHFFFAOYSA-N
XLogP1.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(allyl(tert-butoxycarbonyl)amino)acetate
CID 10681689
Glycine, N-methyl-N-allyloxycarbonyl-, ethyl ester
CID 64282787
Glycine, N-methyl-N-allyloxycarbonyl-, pentyl ester
CID 91713124
Glycine, N-methyl-N-allyloxycarbonyl-, isohexyl ester
CID 91713125
Glycine, N-methyl-N-allyloxycarbonyl-, hexyl ester
CID 91713126
Glycine, N-methyl-N-allyloxycarbonyl-, heptyl ester
CID 91713127
Alanine, N-methyl-N-allyloxycarbonyl-, pentyl ester
CID 91717704
Sarcosylsarcosine, N-allyloxycarbonyl-, ethyl ester
CID 6422701
Sarcosylsarcosine, N-allyloxycarbonyl-, butyl ester
CID 6422702
Sarcosylsarcosine, N-allyloxycarbonyl-, allyl ester
CID 6422704
Sarcosylsarcosine, N-allyloxycarbonyl-, propyl ester
CID 6422717
Glycine, N-ethyl-N-allyloxycarbonyl-, ethyl ester
CID 64282389

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
The IUPAC name of 2-methylpropyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate (CID 91713123) is 2-methylpropyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate.
What is the SMILES notation for 2-methylpropyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
The canonical SMILES for 2-methylpropyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate is C=CCOC(=O)N(C)CC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
The InChIKey is XBXPLCYDEGTNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-5-6-15-11(14)12(4)7-10(13)16-8-9(2)3/h5,9H,1,6-8H2,2-4H3.
What are the key properties of 2-methylpropyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
2-methylpropyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate has a molecular weight of 229.28 g/mol, XLogP of 1.44, 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(prop-2-enoxycarbonyl)amino]acetate is sourced from PubChem (CID 91713123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).