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

C12H23NO5 — CID 82325749

IUPAC3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid
SMILESCCOCCCN(CC(C)C(=O)O)C(=O)COC
InChIInChI=1S/C12H23NO5/c1-4-18-7-5-6-13(11(14)9-17-3)8-10(2)12(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyXPTDECWCTKVDLE-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.61
Rot. Bonds10

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

3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid (PubChem CID 82325749) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid
PubChem CID82325749
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Name3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid
SMILESCCOCCCN(CC(C)C(=O)O)C(=O)COC
InChIInChI=1S/C12H23NO5/c1-4-18-7-5-6-13(11(14)9-17-3)8-10(2)12(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyXPTDECWCTKVDLE-UHFFFAOYSA-N
XLogP0.61
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82323212
3-[3-ethoxypropyl-(3-methylthiophene-2-carbonyl)amino]-2-methylpropanoic acid
CID 119208280
3-[butyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82328233
3-[3-ethoxypropyl(propyl)amino]-2-methylpropanoic acid
CID 82328136
3-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-methylpropanoic acid
CID 119208406
3-[butyl(propanoyl)amino]-2-methylpropanoic acid
CID 82323303
3-[3-ethoxypropyl-[2-(1,2-oxazol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 119208391
3-[(2-chlorobenzoyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 119208279
3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82326833
3-[(1,5-dimethylpyrrole-2-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 119208438
3-[3-ethoxypropyl-(1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 119208607
3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid
CID 75383572

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid (CID 82325749) is 3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid is CCOCCCN(CC(C)C(=O)O)C(=O)COC.
What is the InChIKey of 3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid?
The InChIKey is XPTDECWCTKVDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-4-18-7-5-6-13(11(14)9-17-3)8-10(2)12(15)16/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid?
3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid has a molecular weight of 261.32 g/mol, XLogP of 0.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82325749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).