ethyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate

C13H24N2O5 — CID 91692980

IUPACethyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC(C)C
InChIInChI=1S/C13H24N2O5/c1-6-19-12(17)8-14(4)11(16)7-15(5)13(18)20-9-10(2)3/h10H,6-9H2,1-5H3
InChIKeyCUQIPAIAUGJIRY-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.73
Rot. Bonds7

About ethyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate

ethyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate (PubChem CID 91692980) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate
PubChem CID91692980
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Nameethyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC(C)C
InChIInChI=1S/C13H24N2O5/c1-6-19-12(17)8-14(4)11(16)7-15(5)13(18)20-9-10(2)3/h10H,6-9H2,1-5H3
InChIKeyCUQIPAIAUGJIRY-UHFFFAOYSA-N
XLogP0.73
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Sarcosine, N-isobutyryl-, ethyl ester
CID 61597567
tert-butyl N-(carbamoylmethyl)-N-(2-methoxyethyl)carbamate
CID 130748777
N-Acetyl-N-(2-butoxy-2-oxoethyl)glycine butyl ester
CID 90476080
tert-Butyl 4-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate
CID 22321826
(4-Ethyl-2,3-dioxo-piperazin-1-yl)-acetic acid ethyl ester
CID 28940100
ethyl N-boc-aminoethylglycinate
CID 54418493
Cyclopropylmethyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]amino]acetate
CID 53542430
Sarcosylsarcosine, n-pentafluoropropionyl-, isobutyl ester
CID 91730554
Sarcosine, N-isobutyryl-, isobutyl ester
CID 91692123
Sarcosine, N-isobutyryl-, propyl ester
CID 91692126
Sarcosylsarcosine, N-isobutoxycarbonyl-, propyl ester
CID 91692981
Sarcosylsarcosine, N-isobutoxycarbonyl-, butyl ester
CID 91693557

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate (CID 91692980) is ethyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate is CCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC(C)C.
What is the InChIKey of ethyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate?
The InChIKey is CUQIPAIAUGJIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-6-19-12(17)8-14(4)11(16)7-15(5)13(18)20-9-10(2)3/h10H,6-9H2,1-5H3.
What are the key properties of ethyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate?
ethyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate has a molecular weight of 288.34 g/mol, XLogP of 0.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 91692980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).