4-(but-3-en-2-ylamino)butanoic acid

C8H15NO2 — CID 62388268

IUPAC4-(but-3-en-2-ylamino)butanoic acid
SMILESC=CC(C)NCCCC(=O)O
InChIInChI=1S/C8H15NO2/c1-3-7(2)9-6-4-5-8(10)11/h3,7,9H,1,4-6H2,2H3,(H,10,11)
InChIKeyWSITWRJWXVJGPH-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.02
Rot. Bonds6

About 4-(but-3-en-2-ylamino)butanoic acid

4-(but-3-en-2-ylamino)butanoic acid (PubChem CID 62388268) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(but-3-en-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-(but-3-en-2-ylamino)butanoic acid
PubChem CID62388268
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(but-3-en-2-ylamino)butanoic acid
SMILESC=CC(C)NCCCC(=O)O
InChIInChI=1S/C8H15NO2/c1-3-7(2)9-6-4-5-8(10)11/h3,7,9H,1,4-6H2,2H3,(H,10,11)
InChIKeyWSITWRJWXVJGPH-UHFFFAOYSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.02
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

3-(2-Propen-1-ylamino)-butanoic acid
CID 14093038
4-(Prop-2-enylamino)butanoic acid
CID 24689720
4-(Ethylazaniumyl)hex-5-enoate
CID 60110705
3-(But-3-en-2-ylamino)propanoic acid
CID 62383247
3-(Dimethylamino)-4-(prop-2-enylamino)butanoic acid
CID 88169968
2-Methyl-4-(prop-2-enylamino)butanoic acid
CID 88813553
2-(2-Methyl-1,2,3,6-tetrahydropyridin-5-yl)acetic acid
CID 89503211
4-(Methylamino)hex-5-enoic acid
CID 118547694
4-[[(3E)-3-ethylhexa-3,5-dien-2-yl]amino]butanoic acid
CID 138703184
4-Carboxybutan-2-yl(hepta-1,6-dien-4-yl)azanium chloride
CID 140086974
3-Carboxybutyl(hepta-1,6-dien-4-yl)azanium chloride
CID 140086980
3-Carboxypropyl(hepta-1,6-dien-4-yl)azanium chloride
CID 140086990

Frequently Asked Questions

What is the IUPAC name of 4-(but-3-en-2-ylamino)butanoic acid?
The IUPAC name of 4-(but-3-en-2-ylamino)butanoic acid (CID 62388268) is 4-(but-3-en-2-ylamino)butanoic acid.
What is the SMILES notation for 4-(but-3-en-2-ylamino)butanoic acid?
The canonical SMILES for 4-(but-3-en-2-ylamino)butanoic acid is C=CC(C)NCCCC(=O)O.
What is the InChIKey of 4-(but-3-en-2-ylamino)butanoic acid?
The InChIKey is WSITWRJWXVJGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-7(2)9-6-4-5-8(10)11/h3,7,9H,1,4-6H2,2H3,(H,10,11).
What are the key properties of 4-(but-3-en-2-ylamino)butanoic acid?
4-(but-3-en-2-ylamino)butanoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-3-en-2-ylamino)butanoic acid is sourced from PubChem (CID 62388268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).