3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid

C11H22N2O4 — CID 82326833

IUPAC3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
SMILESCCOCCCN(CC(N)=O)CC(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-3-17-6-4-5-13(8-10(12)14)7-9(2)11(15)16/h9H,3-8H2,1-2H3,(H2,12,14)(H,15,16)
InChIKeyCHFDZLWAKPSKAZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.08
Rot. Bonds10

About 3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid

3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid (PubChem CID 82326833) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
PubChem CID82326833
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
SMILESCCOCCCN(CC(N)=O)CC(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-3-17-6-4-5-13(8-10(12)14)7-9(2)11(15)16/h9H,3-8H2,1-2H3,(H2,12,14)(H,15,16)
InChIKeyCHFDZLWAKPSKAZ-UHFFFAOYSA-N
XLogP-0.08
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.08
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

3-[butyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82328233
3-[3-ethoxypropyl(propyl)amino]-2-methylpropanoic acid
CID 82328136
3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
CID 82326827
3-[benzyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82327569
3-[acetyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82323212
3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid
CID 82327474
3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 82325749
ethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate
CID 62922969
3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid
CID 82326803
3-[carboxymethyl(pentyl)amino]-2-methylpropanoic acid
CID 82328302
3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328964
3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid
CID 82329181

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid (CID 82326833) is 3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid is CCOCCCN(CC(N)=O)CC(C)C(=O)O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid?
The InChIKey is CHFDZLWAKPSKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-3-17-6-4-5-13(8-10(12)14)7-9(2)11(15)16/h9H,3-8H2,1-2H3,(H2,12,14)(H,15,16).
What are the key properties of 3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid?
3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid has a molecular weight of 246.31 g/mol, XLogP of -0.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82326833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).