2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid

C13H24N2O5 — CID 79804656

IUPAC2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid
SMILESCCOC(=O)CCN(C)C(=O)NC(CC)(CC)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-5-13(6-2,11(17)18)14-12(19)15(4)9-8-10(16)20-7-3/h5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyGXLCPASGYBBLMP-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.22
Rot. Bonds8

About 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid

2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid (PubChem CID 79804656) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid
PubChem CID79804656
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid
SMILESCCOC(=O)CCN(C)C(=O)NC(CC)(CC)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-5-13(6-2,11(17)18)14-12(19)15(4)9-8-10(16)20-7-3/h5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyGXLCPASGYBBLMP-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 79803567
2-[(4-ethoxy-4-oxobutanoyl)amino]-2-ethylbutanoic acid
CID 79806465
2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid
CID 79803516
2-(ethoxycarbonylamino)-2-ethylbutanoic acid
CID 79806785
2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002383
2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid
CID 79815042
ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate
CID 112603597
ethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate
CID 75510496
2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803996
2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
CID 79803922
2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid
CID 115431007
2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid
CID 79804394

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid (CID 79804656) is 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid is CCOC(=O)CCN(C)C(=O)NC(CC)(CC)C(=O)O.
What is the InChIKey of 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid?
The InChIKey is GXLCPASGYBBLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-5-13(6-2,11(17)18)14-12(19)15(4)9-8-10(16)20-7-3/h5-9H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid?
2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid has a molecular weight of 288.34 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79804656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).