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

C9H17NO3 — CID 82327963

IUPAC3-[2-hydroxypropyl(prop-2-enyl)amino]propanoic acid
SMILESC=CCN(CCC(=O)O)CC(C)O
InChIInChI=1S/C9H17NO3/c1-3-5-10(7-8(2)11)6-4-9(12)13/h3,8,11H,1,4-7H2,2H3,(H,12,13)
InChIKeyIIERCOZHLAUJLU-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.33
Rot. Bonds7

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

3-[2-hydroxypropyl(prop-2-enyl)amino]propanoic acid (PubChem CID 82327963) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-[2-hydroxypropyl(prop-2-enyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-hydroxypropyl(prop-2-enyl)amino]propanoic acid
PubChem CID82327963
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-[2-hydroxypropyl(prop-2-enyl)amino]propanoic acid
SMILESC=CCN(CCC(=O)O)CC(C)O
InChIInChI=1S/C9H17NO3/c1-3-5-10(7-8(2)11)6-4-9(12)13/h3,8,11H,1,4-7H2,2H3,(H,12,13)
InChIKeyIIERCOZHLAUJLU-UHFFFAOYSA-N
XLogP0.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-hydroxypropyl(prop-2-enyl)amino]propanoic acid?
The IUPAC name of 3-[2-hydroxypropyl(prop-2-enyl)amino]propanoic acid (CID 82327963) is 3-[2-hydroxypropyl(prop-2-enyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-hydroxypropyl(prop-2-enyl)amino]propanoic acid?
The canonical SMILES for 3-[2-hydroxypropyl(prop-2-enyl)amino]propanoic acid is C=CCN(CCC(=O)O)CC(C)O.
What is the InChIKey of 3-[2-hydroxypropyl(prop-2-enyl)amino]propanoic acid?
The InChIKey is IIERCOZHLAUJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-5-10(7-8(2)11)6-4-9(12)13/h3,8,11H,1,4-7H2,2H3,(H,12,13).
What are the key properties of 3-[2-hydroxypropyl(prop-2-enyl)amino]propanoic acid?
3-[2-hydroxypropyl(prop-2-enyl)amino]propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxypropyl(prop-2-enyl)amino]propanoic acid is sourced from PubChem (CID 82327963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).