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

C13H22N2O5 — CID 82002217

IUPAC3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid
SMILESCCOC(=O)CN(CC)C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C13H22N2O5/c1-3-15(8-12(18)20-4-2)13(19)14-10(7-11(16)17)9-5-6-9/h9-10H,3-8H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyCTEKTYKRTPYATJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.83
Rot. Bonds8

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

3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid (PubChem CID 82002217) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid
PubChem CID82002217
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid
SMILESCCOC(=O)CN(CC)C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C13H22N2O5/c1-3-15(8-12(18)20-4-2)13(19)14-10(7-11(16)17)9-5-6-9/h9-10H,3-8H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyCTEKTYKRTPYATJ-UHFFFAOYSA-N
XLogP0.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid
CID 82002983
4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 81069497
(2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid
CID 107827068
ethyl 2-[cyclopropylcarbamoyl(ethyl)amino]acetate
CID 62700813
(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009643
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 55002240
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62965168
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66033021
3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 82002685
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002388
ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
CID 61012269
ethyl 3-cyclopropylbutanoate
CID 47078610

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid (CID 82002217) is 3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid is CCOC(=O)CN(CC)C(=O)NC(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid?
The InChIKey is CTEKTYKRTPYATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-3-15(8-12(18)20-4-2)13(19)14-10(7-11(16)17)9-5-6-9/h9-10H,3-8H2,1-2H3,(H,14,19)(H,16,17).
What are the key properties of 3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid?
3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid has a molecular weight of 286.33 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 82002217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).