5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid

C13H22N2O6 — CID 62965168

IUPAC5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCCOC(=O)CN(CC)C(=O)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C13H22N2O6/c1-4-15(8-12(19)21-5-2)13(20)14-10(16)6-9(3)7-11(17)18/h9H,4-8H2,1-3H3,(H,17,18)(H,14,16,20)
InChIKeyZPDJJHDIWPSMPD-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.61
Rot. Bonds8

About 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid

5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62965168) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
PubChem CID62965168
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCCOC(=O)CN(CC)C(=O)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C13H22N2O6/c1-4-15(8-12(19)21-5-2)13(20)14-10(16)6-9(3)7-11(17)18/h9H,4-8H2,1-3H3,(H,17,18)(H,14,16,20)
InChIKeyZPDJJHDIWPSMPD-UHFFFAOYSA-N
XLogP0.61
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 81069497
5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62966207
(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009643
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002388
3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid
CID 82002217
5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 55157133
5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62965871
(2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid
CID 107827068
ethyl 2-[ethyl(2-methylpropanoyl)amino]acetate
CID 61021514
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 55002240
ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
CID 61012269
5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62956088

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid (CID 62965168) is 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid is CCOC(=O)CN(CC)C(=O)NC(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is ZPDJJHDIWPSMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-4-15(8-12(19)21-5-2)13(20)14-10(16)6-9(3)7-11(17)18/h9H,4-8H2,1-3H3,(H,17,18)(H,14,16,20).
What are the key properties of 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid?
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 302.33 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62965168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).