2-(but-3-enylamino)acetic acid

C6H11NO2 — CID 18506529

IUPAC2-(but-3-enylamino)acetic acid
SMILESC=CCCNCC(=O)O
InChIInChI=1S/C6H11NO2/c1-2-3-4-7-5-6(8)9/h2,7H,1,3-5H2,(H,8,9)
InChIKeyWVFFPDNNNZJDQR-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.24
Rot. Bonds5

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

2-(but-3-enylamino)acetic acid (PubChem CID 18506529) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(but-3-enylamino)acetic acid.

Molecular Properties

Compound Name2-(but-3-enylamino)acetic acid
PubChem CID18506529
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(but-3-enylamino)acetic acid
SMILESC=CCCNCC(=O)O
InChIInChI=1S/C6H11NO2/c1-2-3-4-7-5-6(8)9/h2,7H,1,3-5H2,(H,8,9)
InChIKeyWVFFPDNNNZJDQR-UHFFFAOYSA-N
XLogP0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.24
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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Related Compounds

N-Allylglycine
CID 76651
CID 36690796
CID 36690796
Vinylacetylglycine
CID 53477718
N-But-2-en-1-ylglycine
CID 53407996
cis-Crotylglycine
CID 87168838
Aminoethylvinyl-glycine
CID 129848579
2-(4,4-Difluorobut-3-enylamino)acetic acid;hydrochloride
CID 19704266
2-(4,4-Difluorobut-3-enylamino)acetic acid
CID 19704267
Allylglycin-hydrobromid
CID 129648695
Carboxymethyl(prop-2-enyl)azanium
CID 134844890
2-(Diallyl(methyl)ammonio) acetate
CID 137552810
2-(But-3-en-2-ylamino)propanoic acid
CID 18426357

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-enylamino)acetic acid?
The IUPAC name of 2-(but-3-enylamino)acetic acid (CID 18506529) is 2-(but-3-enylamino)acetic acid.
What is the SMILES notation for 2-(but-3-enylamino)acetic acid?
The canonical SMILES for 2-(but-3-enylamino)acetic acid is C=CCCNCC(=O)O.
What is the InChIKey of 2-(but-3-enylamino)acetic acid?
The InChIKey is WVFFPDNNNZJDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-3-4-7-5-6(8)9/h2,7H,1,3-5H2,(H,8,9).
What are the key properties of 2-(but-3-enylamino)acetic acid?
2-(but-3-enylamino)acetic acid has a molecular weight of 129.16 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-enylamino)acetic acid is sourced from PubChem (CID 18506529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).