5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid

C13H24N2O5 — CID 104686480

IUPAC5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid
SMILESCCOC(=O)CN(CC)C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-4-15(9-11(16)20-5-2)13(19)14-8-6-7-10(3)12(17)18/h10H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyKHRBHEVOUQLBED-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.08
Rot. Bonds9

About 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid

5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid (PubChem CID 104686480) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid
PubChem CID104686480
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid
SMILESCCOC(=O)CN(CC)C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-4-15(9-11(16)20-5-2)13(19)14-8-6-7-10(3)12(17)18/h10H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyKHRBHEVOUQLBED-UHFFFAOYSA-N
XLogP1.08
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686477
4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541797
4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 81069497
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 55002240
(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009643
5-[[butan-2-yl(ethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686221
5-[[butan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686220
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428627
5-[bis(prop-2-enyl)carbamoylamino]-2-methylpentanoic acid
CID 113441173
4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid
CID 80540676
(2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid
CID 107827068
5-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686367

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid?
The IUPAC name of 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid (CID 104686480) is 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid is CCOC(=O)CN(CC)C(=O)NCCCC(C)C(=O)O.
What is the InChIKey of 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid?
The InChIKey is KHRBHEVOUQLBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-4-15(9-11(16)20-5-2)13(19)14-8-6-7-10(3)12(17)18/h10H,4-9H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid?
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid has a molecular weight of 288.34 g/mol, XLogP of 1.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 104686480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).