3-[3-methoxypropyl(prop-2-enyl)amino]propanoic acid

C10H19NO3 — CID 82327959

IUPAC3-[3-methoxypropyl(prop-2-enyl)amino]propanoic acid
SMILESC=CCN(CCCOC)CCC(=O)O
InChIInChI=1S/C10H19NO3/c1-3-6-11(7-4-9-14-2)8-5-10(12)13/h3H,1,4-9H2,2H3,(H,12,13)
InChIKeyNPRIZCXGSQRXAY-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.99
Rot. Bonds9

About 3-[3-methoxypropyl(prop-2-enyl)amino]propanoic acid

3-[3-methoxypropyl(prop-2-enyl)amino]propanoic acid (PubChem CID 82327959) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[3-methoxypropyl(prop-2-enyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-methoxypropyl(prop-2-enyl)amino]propanoic acid
PubChem CID82327959
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[3-methoxypropyl(prop-2-enyl)amino]propanoic acid
SMILESC=CCN(CCCOC)CCC(=O)O
InChIInChI=1S/C10H19NO3/c1-3-6-11(7-4-9-14-2)8-5-10(12)13/h3H,1,4-9H2,2H3,(H,12,13)
InChIKeyNPRIZCXGSQRXAY-UHFFFAOYSA-N
XLogP0.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxypropyl(prop-2-enyl)amino]propanoic acid?
The IUPAC name of 3-[3-methoxypropyl(prop-2-enyl)amino]propanoic acid (CID 82327959) is 3-[3-methoxypropyl(prop-2-enyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-methoxypropyl(prop-2-enyl)amino]propanoic acid?
The canonical SMILES for 3-[3-methoxypropyl(prop-2-enyl)amino]propanoic acid is C=CCN(CCCOC)CCC(=O)O.
What is the InChIKey of 3-[3-methoxypropyl(prop-2-enyl)amino]propanoic acid?
The InChIKey is NPRIZCXGSQRXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-6-11(7-4-9-14-2)8-5-10(12)13/h3H,1,4-9H2,2H3,(H,12,13).
What are the key properties of 3-[3-methoxypropyl(prop-2-enyl)amino]propanoic acid?
3-[3-methoxypropyl(prop-2-enyl)amino]propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxypropyl(prop-2-enyl)amino]propanoic acid is sourced from PubChem (CID 82327959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).