ethyl 2-[methyl(propoxycarbonyl)amino]propanoate

C10H19NO4 — CID 91718690

IUPACethyl 2-[methyl(propoxycarbonyl)amino]propanoate
SMILESCCCOC(=O)N(C)C(C)C(=O)OCC
InChIInChI=1S/C10H19NO4/c1-5-7-15-10(13)11(4)8(3)9(12)14-6-2/h8H,5-7H2,1-4H3
InChIKeyXQERTKLTSRLLEQ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.42
Rot. Bonds5

About ethyl 2-[methyl(propoxycarbonyl)amino]propanoate

ethyl 2-[methyl(propoxycarbonyl)amino]propanoate (PubChem CID 91718690) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 2-[methyl(propoxycarbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[methyl(propoxycarbonyl)amino]propanoate
PubChem CID91718690
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 2-[methyl(propoxycarbonyl)amino]propanoate
SMILESCCCOC(=O)N(C)C(C)C(=O)OCC
InChIInChI=1S/C10H19NO4/c1-5-7-15-10(13)11(4)8(3)9(12)14-6-2/h8H,5-7H2,1-4H3
InChIKeyXQERTKLTSRLLEQ-UHFFFAOYSA-N
XLogP1.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl n-(ethoxycarbonyl)-n-methylglycinate
CID 265106
N-Acetyl-N-(2-butoxy-2-oxoethyl)glycine butyl ester
CID 90476080
Ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647
2-[Acetyl(isopropyl)amino]ethyl acetate
CID 91618806
DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, but-2-yn-1-yl ester
CID 91692363
Glycine, N-methyl-N-methoxycarbonyl-, butyl ester
CID 91703027
Glycine, N-methyl-N-methoxycarbonyl-, pentyl ester
CID 91703028
Glycine, N-methyl-N-methoxycarbonyl-, isobutyl ester
CID 91703037
DL-Alanine, N-methyl-N-(vinyloxycarbonyl)-, butyl ester
CID 91703065
Glycine, N-methyl-N-ethoxycarbonyl-, isobutyl ester
CID 91709587
Glycine, N-methyl-N-ethoxycarbonyl-, butyl ester
CID 91709588
Glycine, N-methyl-N-ethoxycarbonyl-, pentyl ester
CID 91709589

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(propoxycarbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[methyl(propoxycarbonyl)amino]propanoate (CID 91718690) is ethyl 2-[methyl(propoxycarbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[methyl(propoxycarbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[methyl(propoxycarbonyl)amino]propanoate is CCCOC(=O)N(C)C(C)C(=O)OCC.
What is the InChIKey of ethyl 2-[methyl(propoxycarbonyl)amino]propanoate?
The InChIKey is XQERTKLTSRLLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-7-15-10(13)11(4)8(3)9(12)14-6-2/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 2-[methyl(propoxycarbonyl)amino]propanoate?
ethyl 2-[methyl(propoxycarbonyl)amino]propanoate has a molecular weight of 217.26 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(propoxycarbonyl)amino]propanoate is sourced from PubChem (CID 91718690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).