2-aminopent-4-enoic acid

C5H9NO2 — CID 14044

IUPAC2-aminopent-4-enoic acid
SMILESC=CCC(N)C(=O)O
InChIInChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)
InChIKeyWNNNWFKQCKFSDK-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.03
Rot. Bonds3

About 2-aminopent-4-enoic acid

2-aminopent-4-enoic acid (PubChem CID 14044) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 2-aminopent-4-enoic acid.

Molecular Properties

Compound Name2-aminopent-4-enoic acid
PubChem CID14044
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name2-aminopent-4-enoic acid
SMILESC=CCC(N)C(=O)O
InChIInChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)
InChIKeyWNNNWFKQCKFSDK-UHFFFAOYSA-N
XLogP-0.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
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 2-aminopent-4-enoic acid?
The IUPAC name of 2-aminopent-4-enoic acid (CID 14044) is 2-aminopent-4-enoic acid.
What is the SMILES notation for 2-aminopent-4-enoic acid?
The canonical SMILES for 2-aminopent-4-enoic acid is C=CCC(N)C(=O)O.
What is the InChIKey of 2-aminopent-4-enoic acid?
The InChIKey is WNNNWFKQCKFSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8).
What are the key properties of 2-aminopent-4-enoic acid?
2-aminopent-4-enoic acid has a molecular weight of 115.13 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopent-4-enoic acid is sourced from PubChem (CID 14044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).