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

C8H15NO2 — CID 61010341

IUPAC3-[ethyl(prop-2-enyl)amino]propanoic acid
SMILESC=CCN(CC)CCC(=O)O
InChIInChI=1S/C8H15NO2/c1-3-6-9(4-2)7-5-8(10)11/h3H,1,4-7H2,2H3,(H,10,11)
InChIKeyRCXITBPEMWYVJO-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.97
Rot. Bonds6

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

3-[ethyl(prop-2-enyl)amino]propanoic acid (PubChem CID 61010341) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-[ethyl(prop-2-enyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(prop-2-enyl)amino]propanoic acid
PubChem CID61010341
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-[ethyl(prop-2-enyl)amino]propanoic acid
SMILESC=CCN(CC)CCC(=O)O
InChIInChI=1S/C8H15NO2/c1-3-6-9(4-2)7-5-8(10)11/h3H,1,4-7H2,2H3,(H,10,11)
InChIKeyRCXITBPEMWYVJO-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(prop-2-enyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(prop-2-enyl)amino]propanoic acid (CID 61010341) is 3-[ethyl(prop-2-enyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(prop-2-enyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(prop-2-enyl)amino]propanoic acid is C=CCN(CC)CCC(=O)O.
What is the InChIKey of 3-[ethyl(prop-2-enyl)amino]propanoic acid?
The InChIKey is RCXITBPEMWYVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-6-9(4-2)7-5-8(10)11/h3H,1,4-7H2,2H3,(H,10,11).
What are the key properties of 3-[ethyl(prop-2-enyl)amino]propanoic acid?
3-[ethyl(prop-2-enyl)amino]propanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(prop-2-enyl)amino]propanoic acid is sourced from PubChem (CID 61010341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).