ethyl 2-[ethoxycarbonyl(methyl)amino]propanoate

C9H17NO4 — CID 91714254

IUPACethyl 2-[ethoxycarbonyl(methyl)amino]propanoate
SMILESCCOC(=O)C(C)N(C)C(=O)OCC
InChIInChI=1S/C9H17NO4/c1-5-13-8(11)7(3)10(4)9(12)14-6-2/h7H,5-6H2,1-4H3
InChIKeyAJHXTGPFBNWTOE-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.03
Rot. Bonds4

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

ethyl 2-[ethoxycarbonyl(methyl)amino]propanoate (PubChem CID 91714254) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl 2-[ethoxycarbonyl(methyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[ethoxycarbonyl(methyl)amino]propanoate
PubChem CID91714254
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameethyl 2-[ethoxycarbonyl(methyl)amino]propanoate
SMILESCCOC(=O)C(C)N(C)C(=O)OCC
InChIInChI=1S/C9H17NO4/c1-5-13-8(11)7(3)10(4)9(12)14-6-2/h7H,5-6H2,1-4H3
InChIKeyAJHXTGPFBNWTOE-UHFFFAOYSA-N
XLogP1.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethoxycarbonyl(methyl)amino]propanoate?
The IUPAC name of ethyl 2-[ethoxycarbonyl(methyl)amino]propanoate (CID 91714254) is ethyl 2-[ethoxycarbonyl(methyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[ethoxycarbonyl(methyl)amino]propanoate?
The canonical SMILES for ethyl 2-[ethoxycarbonyl(methyl)amino]propanoate is CCOC(=O)C(C)N(C)C(=O)OCC.
What is the InChIKey of ethyl 2-[ethoxycarbonyl(methyl)amino]propanoate?
The InChIKey is AJHXTGPFBNWTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-5-13-8(11)7(3)10(4)9(12)14-6-2/h7H,5-6H2,1-4H3.
What are the key properties of ethyl 2-[ethoxycarbonyl(methyl)amino]propanoate?
ethyl 2-[ethoxycarbonyl(methyl)amino]propanoate has a molecular weight of 203.24 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethoxycarbonyl(methyl)amino]propanoate is sourced from PubChem (CID 91714254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).