methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate

C9H17NO4 — CID 61009915

IUPACmethyl 3-[ethoxycarbonyl(ethyl)amino]propanoate
SMILESCCOC(=O)N(CC)CCC(=O)OC
InChIInChI=1S/C9H17NO4/c1-4-10(9(12)14-5-2)7-6-8(11)13-3/h4-7H2,1-3H3
InChIKeyQCTCMRFDWWDYMO-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.03
Rot. Bonds5

About methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate

methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate (PubChem CID 61009915) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethoxycarbonyl(ethyl)amino]propanoate
PubChem CID61009915
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namemethyl 3-[ethoxycarbonyl(ethyl)amino]propanoate
SMILESCCOC(=O)N(CC)CCC(=O)OC
InChIInChI=1S/C9H17NO4/c1-4-10(9(12)14-5-2)7-6-8(11)13-3/h4-7H2,1-3H3
InChIKeyQCTCMRFDWWDYMO-UHFFFAOYSA-N
XLogP1.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethoxycarbonyl(ethyl)amino]propanoic acid
CID 22758760
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
methyl 3-[carbonochloridoyl(ethyl)amino]propanoate
CID 20566212
methyl 3-[3-(2-aminoethoxy)propyl-ethoxycarbonylamino]propanoate
CID 134542602
ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
CID 143172313
methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953811
methyl 3-[ethoxycarbonyl(thiophen-3-ylmethyl)amino]propanoate
CID 58293749
methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate
CID 61010157
ethyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103104222
methyl 3-[ethyl(hydroxy)amino]propanoate
CID 131223407
methyl 5-(diethylamino)-5-oxopentanoate
CID 12618393
4-O-ethyl 1-O-methyl butanedioate
CID 522068

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate?
The IUPAC name of methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate (CID 61009915) is methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate is CCOC(=O)N(CC)CCC(=O)OC.
What is the InChIKey of methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate?
The InChIKey is QCTCMRFDWWDYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-4-10(9(12)14-5-2)7-6-8(11)13-3/h4-7H2,1-3H3.
What are the key properties of methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate?
methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate has a molecular weight of 203.24 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate is sourced from PubChem (CID 61009915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).