3-[benzyl(ethoxy)amino]propanoic acid

C12H17NO3 — CID 150666636

IUPAC3-[benzyl(ethoxy)amino]propanoic acid
SMILESCCON(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C12H17NO3/c1-2-16-13(9-8-12(14)15)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,15)
InChIKeyJEZXIIUEANYALY-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.91
Rot. Bonds7

About 3-[benzyl(ethoxy)amino]propanoic acid

3-[benzyl(ethoxy)amino]propanoic acid (PubChem CID 150666636) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-[benzyl(ethoxy)amino]propanoic acid.

Molecular Properties

Compound Name3-[benzyl(ethoxy)amino]propanoic acid
PubChem CID150666636
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-[benzyl(ethoxy)amino]propanoic acid
SMILESCCON(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C12H17NO3/c1-2-16-13(9-8-12(14)15)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,15)
InChIKeyJEZXIIUEANYALY-UHFFFAOYSA-N
XLogP1.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetic acid;N'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine;gadolinium
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azane;3-(dibenzylamino)propanoic acid
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3-[acetyl(phenylmethoxy)amino]propanoic acid
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3-[3-[acetyl(benzyl)amino]propanoyl-methylamino]propanoic acid
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3-(N-benzyl-4-propan-2-ylanilino)propanoic acid
CID 82317290
4-[acetyl(benzyl)amino]butanoic acid
CID 92930357
3-[benzyl(1-hydroxybutan-2-yl)amino]propanoic acid
CID 82327539
6-[benzyl(propyl)amino]-6-oxohexanoic acid
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3-[benzyl-(2-methylsulfanylacetyl)amino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethoxy)amino]propanoic acid?
The IUPAC name of 3-[benzyl(ethoxy)amino]propanoic acid (CID 150666636) is 3-[benzyl(ethoxy)amino]propanoic acid.
What is the SMILES notation for 3-[benzyl(ethoxy)amino]propanoic acid?
The canonical SMILES for 3-[benzyl(ethoxy)amino]propanoic acid is CCON(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethoxy)amino]propanoic acid?
The InChIKey is JEZXIIUEANYALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-16-13(9-8-12(14)15)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,15).
What are the key properties of 3-[benzyl(ethoxy)amino]propanoic acid?
3-[benzyl(ethoxy)amino]propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethoxy)amino]propanoic acid is sourced from PubChem (CID 150666636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).