2-(but-3-enoylamino)acetic acid

C6H9NO3 — CID 53477718

IUPAC2-(but-3-enoylamino)acetic acid
SMILESC=CCC(=O)NCC(=O)O
InChIInChI=1S/C6H9NO3/c1-2-3-5(8)7-4-6(9)10/h2H,1,3-4H2,(H,7,8)(H,9,10)
InChIKeyUKISAGFGRDHYFO-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.24
Rot. Bonds4

About 2-(but-3-enoylamino)acetic acid

2-(but-3-enoylamino)acetic acid (PubChem CID 53477718) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-(but-3-enoylamino)acetic acid.

Molecular Properties

Compound Name2-(but-3-enoylamino)acetic acid
PubChem CID53477718
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-(but-3-enoylamino)acetic acid
SMILESC=CCC(=O)NCC(=O)O
InChIInChI=1S/C6H9NO3/c1-2-3-5(8)7-4-6(9)10/h2H,1,3-4H2,(H,7,8)(H,9,10)
InChIKeyUKISAGFGRDHYFO-UHFFFAOYSA-N
XLogP-0.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.24
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-(but-3-enoylamino)acetic acid?
The IUPAC name of 2-(but-3-enoylamino)acetic acid (CID 53477718) is 2-(but-3-enoylamino)acetic acid.
What is the SMILES notation for 2-(but-3-enoylamino)acetic acid?
The canonical SMILES for 2-(but-3-enoylamino)acetic acid is C=CCC(=O)NCC(=O)O.
What is the InChIKey of 2-(but-3-enoylamino)acetic acid?
The InChIKey is UKISAGFGRDHYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-3-5(8)7-4-6(9)10/h2H,1,3-4H2,(H,7,8)(H,9,10).
What are the key properties of 2-(but-3-enoylamino)acetic acid?
2-(but-3-enoylamino)acetic acid has a molecular weight of 143.14 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-enoylamino)acetic acid is sourced from PubChem (CID 53477718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).