4-[methyl(prop-2-enyl)amino]butanoic acid

C8H15NO2 — CID 19426631

IUPAC4-[methyl(prop-2-enyl)amino]butanoic acid
SMILESC=CCN(C)CCCC(=O)O
InChIInChI=1S/C8H15NO2/c1-3-6-9(2)7-4-5-8(10)11/h3H,1,4-7H2,2H3,(H,10,11)
InChIKeyOREXFXBBPUSSQC-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.97
Rot. Bonds6

About 4-[methyl(prop-2-enyl)amino]butanoic acid

4-[methyl(prop-2-enyl)amino]butanoic acid (PubChem CID 19426631) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-[methyl(prop-2-enyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(prop-2-enyl)amino]butanoic acid
PubChem CID19426631
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-[methyl(prop-2-enyl)amino]butanoic acid
SMILESC=CCN(C)CCCC(=O)O
InChIInChI=1S/C8H15NO2/c1-3-6-9(2)7-4-5-8(10)11/h3H,1,4-7H2,2H3,(H,10,11)
InChIKeyOREXFXBBPUSSQC-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
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 4-[methyl(prop-2-enyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(prop-2-enyl)amino]butanoic acid (CID 19426631) is 4-[methyl(prop-2-enyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(prop-2-enyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(prop-2-enyl)amino]butanoic acid is C=CCN(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl(prop-2-enyl)amino]butanoic acid?
The InChIKey is OREXFXBBPUSSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-6-9(2)7-4-5-8(10)11/h3H,1,4-7H2,2H3,(H,10,11).
What are the key properties of 4-[methyl(prop-2-enyl)amino]butanoic acid?
4-[methyl(prop-2-enyl)amino]butanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(prop-2-enyl)amino]butanoic acid is sourced from PubChem (CID 19426631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).