4-(prop-2-enylamino)butanoic acid

C7H13NO2 — CID 24689720

IUPAC4-(prop-2-enylamino)butanoic acid
SMILESC=CCNCCCC(=O)O
InChIInChI=1S/C7H13NO2/c1-2-5-8-6-3-4-7(9)10/h2,8H,1,3-6H2,(H,9,10)
InChIKeyXKCZBPMLGNIOKM-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.63
Rot. Bonds6

About 4-(prop-2-enylamino)butanoic acid

4-(prop-2-enylamino)butanoic acid (PubChem CID 24689720) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-(prop-2-enylamino)butanoic acid.

Molecular Properties

Compound Name4-(prop-2-enylamino)butanoic acid
PubChem CID24689720
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-(prop-2-enylamino)butanoic acid
SMILESC=CCNCCCC(=O)O
InChIInChI=1S/C7H13NO2/c1-2-5-8-6-3-4-7(9)10/h2,8H,1,3-6H2,(H,9,10)
InChIKeyXKCZBPMLGNIOKM-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

4-(Prop-2-enamido)butanoic acid
CID 324232
Stk003242
CID 5157666
3-[(Prop-2-en-1-yl)amino]propanoic acid
CID 14093037
4-[Bis(prop-2-enyl)azaniumyl]butanoate
CID 42177333
Methyl 4-(prop-2-enylamino)butanoate
CID 43216351
4-(But-3-en-2-ylamino)butanoic acid
CID 62388268
4-(1-Phosphonoprop-2-enylamino)butanoic acid
CID 87476443
2-Methyl-4-(prop-2-enylamino)butanoic acid
CID 88813553
4-(Prop-1-enylamino)butanoic acid
CID 152252530
(2S)-4-amino-2-(prop-2-enylamino)butanoic acid
CID 176000513
4-[[(E)-but-2-enyl]amino]butanoic acid
CID 24694538
4-(3-Methylbut-2-enylamino)butanoic acid
CID 24699754

Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enylamino)butanoic acid?
The IUPAC name of 4-(prop-2-enylamino)butanoic acid (CID 24689720) is 4-(prop-2-enylamino)butanoic acid.
What is the SMILES notation for 4-(prop-2-enylamino)butanoic acid?
The canonical SMILES for 4-(prop-2-enylamino)butanoic acid is C=CCNCCCC(=O)O.
What is the InChIKey of 4-(prop-2-enylamino)butanoic acid?
The InChIKey is XKCZBPMLGNIOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-5-8-6-3-4-7(9)10/h2,8H,1,3-6H2,(H,9,10).
What are the key properties of 4-(prop-2-enylamino)butanoic acid?
4-(prop-2-enylamino)butanoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enylamino)butanoic acid is sourced from PubChem (CID 24689720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).