2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid

C13H24N2O5 — CID 115431007

IUPAC2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCOC(=O)CN(C)C(=O)NCC(CC)(CC)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-5-13(6-2,11(17)18)9-14-12(19)15(4)8-10(16)20-7-3/h5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyFOJUMBMNQJUCNI-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.08
Rot. Bonds8

About 2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid

2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid (PubChem CID 115431007) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid
PubChem CID115431007
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCOC(=O)CN(C)C(=O)NCC(CC)(CC)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-5-13(6-2,11(17)18)9-14-12(19)15(4)8-10(16)20-7-3/h5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyFOJUMBMNQJUCNI-UHFFFAOYSA-N
XLogP1.08
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

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Related Compounds

2-Methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]methyl]butanoic acid
CID 81949244
2-[[2-(2,2-Difluoroethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid
CID 105918855
2-[[2-(2,2-Difluoroethoxy)ethylcarbamoylamino]methyl]-2-ethylbutanoic acid
CID 105919036
2-Ethyl-2-[[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]methyl]butanoic acid
CID 115431187
1-[[(2-Methoxy-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 53397447
(2S)-2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 54946293
2-[[1-Methoxypropan-2-yl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 54946842
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 54947989
2-[[Ethyl(2-methoxyethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 54948553
3-[[(2-Ethoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 54969154
2-[[Ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 54998081
(2S)-2-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 54998374

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid (CID 115431007) is 2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid is CCOC(=O)CN(C)C(=O)NCC(CC)(CC)C(=O)O.
What is the InChIKey of 2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid?
The InChIKey is FOJUMBMNQJUCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-5-13(6-2,11(17)18)9-14-12(19)15(4)8-10(16)20-7-3/h5-9H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid?
2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid has a molecular weight of 288.34 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 115431007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).