3-[[(E)-but-2-enyl]amino]propanoic acid

C7H13NO2 — CID 43466709

IUPAC3-[[(E)-but-2-enyl]amino]propanoic acid
SMILESC/C=C/CNCCC(=O)O
InChIInChI=1S/C7H13NO2/c1-2-3-5-8-6-4-7(9)10/h2-3,8H,4-6H2,1H3,(H,9,10)/b3-2+
InChIKeyGGFVLPAAUBDEGQ-NSCUHMNNSA-N
MW143.19 g/mol
LogP0.63
Rot. Bonds5

About 3-[[(E)-but-2-enyl]amino]propanoic acid

3-[[(E)-but-2-enyl]amino]propanoic acid (PubChem CID 43466709) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-[[(E)-but-2-enyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(E)-but-2-enyl]amino]propanoic acid
PubChem CID43466709
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-[[(E)-but-2-enyl]amino]propanoic acid
SMILESC/C=C/CNCCC(=O)O
InChIInChI=1S/C7H13NO2/c1-2-3-5-8-6-4-7(9)10/h2-3,8H,4-6H2,1H3,(H,9,10)/b3-2+
InChIKeyGGFVLPAAUBDEGQ-NSCUHMNNSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[(E)-but-2-enyl]amino]propanoic acid?
The IUPAC name of 3-[[(E)-but-2-enyl]amino]propanoic acid (CID 43466709) is 3-[[(E)-but-2-enyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(E)-but-2-enyl]amino]propanoic acid?
The canonical SMILES for 3-[[(E)-but-2-enyl]amino]propanoic acid is C/C=C/CNCCC(=O)O.
What is the InChIKey of 3-[[(E)-but-2-enyl]amino]propanoic acid?
The InChIKey is GGFVLPAAUBDEGQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-5-8-6-4-7(9)10/h2-3,8H,4-6H2,1H3,(H,9,10)/b3-2+.
What are the key properties of 3-[[(E)-but-2-enyl]amino]propanoic acid?
3-[[(E)-but-2-enyl]amino]propanoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-but-2-enyl]amino]propanoic acid is sourced from PubChem (CID 43466709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).