3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid

C10H19NO4 — CID 103268606

IUPAC3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid
SMILESC=C(C)COCCNC(COC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-8(2)6-15-5-4-11-9(7-14-3)10(12)13/h9,11H,1,4-7H2,2-3H3,(H,12,13)
InChIKeyBADXXSNAMFGSEX-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.27
Rot. Bonds9

About 3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid

3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid (PubChem CID 103268606) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid
PubChem CID103268606
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid
SMILESC=C(C)COCCNC(COC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-8(2)6-15-5-4-11-9(7-14-3)10(12)13/h9,11H,1,4-7H2,2-3H3,(H,12,13)
InChIKeyBADXXSNAMFGSEX-UHFFFAOYSA-N
XLogP0.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid
CID 103266484
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid
CID 103240234
2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid
CID 103262412
(2S)-5-methoxy-2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]-5-oxopentanoic acid
CID 107829317
(2S)-4-hydroxy-2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]butanoic acid
CID 107829318
2-(2-ethoxyethylamino)butanoic acid
CID 64668941
2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]pentanedioic acid
CID 114469263
(2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid
CID 175753969
2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid
CID 114465485
N-cyclopentyl-2-[2-(2-methylprop-2-enoxy)ethylamino]propanamide
CID 114467548
N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine
CID 115893998

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid?
The IUPAC name of 3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid (CID 103268606) is 3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid is C=C(C)COCCNC(COC)C(=O)O.
What is the InChIKey of 3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid?
The InChIKey is BADXXSNAMFGSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(2)6-15-5-4-11-9(7-14-3)10(12)13/h9,11H,1,4-7H2,2-3H3,(H,12,13).
What are the key properties of 3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid?
3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid is sourced from PubChem (CID 103268606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).