ethyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate

C12H20N2O5 — CID 6422701

IUPACethyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)N(C)CC(=O)OCC
InChIInChI=1S/C12H20N2O5/c1-5-7-19-12(17)14(4)8-10(15)13(3)9-11(16)18-6-2/h5H,1,6-9H2,2-4H3
InChIKeyCVDNPNWVSXAHMT-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.26
Rot. Bonds7

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

ethyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate (PubChem CID 6422701) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
PubChem CID6422701
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Nameethyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)N(C)CC(=O)OCC
InChIInChI=1S/C12H20N2O5/c1-5-7-19-12(17)14(4)8-10(15)13(3)9-11(16)18-6-2/h5H,1,6-9H2,2-4H3
InChIKeyCVDNPNWVSXAHMT-UHFFFAOYSA-N
XLogP0.26
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Glycine, N-methyl-N-allyloxycarbonyl-, ethyl ester
CID 64282787
Glycine, N-methyl-N-allyloxycarbonyl-, isobutyl ester
CID 91713123
Glycine, N-methyl-N-allyloxycarbonyl-, pentyl ester
CID 91713124
Glycine, N-methyl-N-allyloxycarbonyl-, allyl ester
CID 91713131
Sarcosylsarcosine, N-allyloxycarbonyl-, butyl ester
CID 6422702
Sarcosylsarcosine, N-allyloxycarbonyl-, heptyl ester
CID 6422703
Sarcosylsarcosine, N-allyloxycarbonyl-, allyl ester
CID 6422704
Sarcosylsarcosine, N-allyloxycarbonyl-, propyl ester
CID 6422717
Sarcosylsarcosine, N-allyloxycarbonyl-, pentyl ester
CID 6422718
Sarcosylsarcosine, N-allyloxycarbonyl-, isohexyl ester
CID 6422719
Sarcosylsarcosine, N-allyloxycarbonyl-, hexyl ester
CID 6422720
Glycine, N-ethyl-N-allyloxycarbonyl-, ethyl ester
CID 64282389

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate (CID 6422701) is ethyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate is C=CCOC(=O)N(C)CC(=O)N(C)CC(=O)OCC.
What is the InChIKey of ethyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The InChIKey is CVDNPNWVSXAHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-5-7-19-12(17)14(4)8-10(15)13(3)9-11(16)18-6-2/h5H,1,6-9H2,2-4H3.
What are the key properties of ethyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
ethyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate has a molecular weight of 272.30 g/mol, XLogP of 0.26, 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(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 6422701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).