2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid

C10H19NO4 — CID 79806522

IUPAC2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid
SMILESCCOCC(=O)NC(CC)(CC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-4-10(5-2,9(13)14)11-8(12)7-15-6-3/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyXOMAUQSLVLLPSU-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.78
Rot. Bonds7

About 2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid

2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid (PubChem CID 79806522) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid
PubChem CID79806522
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid
SMILESCCOCC(=O)NC(CC)(CC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-4-10(5-2,9(13)14)11-8(12)7-15-6-3/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyXOMAUQSLVLLPSU-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide
CID 61121561
2-[(4-ethoxy-4-oxobutanoyl)amino]-2-ethylbutanoic acid
CID 79806465
2-(ethoxycarbonylamino)-2-ethylbutanoic acid
CID 79806785
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-ethoxyacetamide
CID 107867504
2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115910312
2-(1-ethoxypropan-2-ylcarbamoylamino)-2-ethylbutanoic acid
CID 79804072
N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide
CID 114308041
2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid
CID 79803868
2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid
CID 79803793
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-ethylbutanoic acid
CID 79813732
3-[(2-ethoxyacetyl)amino]-3-methylbutanamide
CID 104579494
2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid
CID 79803865

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid (CID 79806522) is 2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid is CCOCC(=O)NC(CC)(CC)C(=O)O.
What is the InChIKey of 2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid?
The InChIKey is XOMAUQSLVLLPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-10(5-2,9(13)14)11-8(12)7-15-6-3/h4-7H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid?
2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79806522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).