3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid

C10H18N2O5 — CID 55002436

IUPAC3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid
SMILESCCOC(=O)CN(CC)C(=O)NCCC(=O)O
InChIInChI=1S/C10H18N2O5/c1-3-12(7-9(15)17-4-2)10(16)11-6-5-8(13)14/h3-7H2,1-2H3,(H,11,16)(H,13,14)
InChIKeyOEGQTVNKEJLJMT-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.06
Rot. Bonds7

About 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid

3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid (PubChem CID 55002436) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid
PubChem CID55002436
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid
SMILESCCOC(=O)CN(CC)C(=O)NCCC(=O)O
InChIInChI=1S/C10H18N2O5/c1-3-12(7-9(15)17-4-2)10(16)11-6-5-8(13)14/h3-7H2,1-2H3,(H,11,16)(H,13,14)
InChIKeyOEGQTVNKEJLJMT-UHFFFAOYSA-N
XLogP0.06
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid (CID 55002436) is 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid is CCOC(=O)CN(CC)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid?
The InChIKey is OEGQTVNKEJLJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-3-12(7-9(15)17-4-2)10(16)11-6-5-8(13)14/h3-7H2,1-2H3,(H,11,16)(H,13,14).
What are the key properties of 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid?
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 55002436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).