4-(4-methylpent-4-enylamino)butanoic acid

C10H19NO2 — CID 118586409

IUPAC4-(4-methylpent-4-enylamino)butanoic acid
SMILESC=C(C)CCCNCCCC(=O)O
InChIInChI=1S/C10H19NO2/c1-9(2)5-3-7-11-8-4-6-10(12)13/h11H,1,3-8H2,2H3,(H,12,13)
InChIKeyCVMXGLRPVBBFCY-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.80
Rot. Bonds8

About 4-(4-methylpent-4-enylamino)butanoic acid

4-(4-methylpent-4-enylamino)butanoic acid (PubChem CID 118586409) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(4-methylpent-4-enylamino)butanoic acid.

Molecular Properties

Compound Name4-(4-methylpent-4-enylamino)butanoic acid
PubChem CID118586409
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(4-methylpent-4-enylamino)butanoic acid
SMILESC=C(C)CCCNCCCC(=O)O
InChIInChI=1S/C10H19NO2/c1-9(2)5-3-7-11-8-4-6-10(12)13/h11H,1,3-8H2,2H3,(H,12,13)
InChIKeyCVMXGLRPVBBFCY-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.80
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpent-4-enylamino)butanoic acid?
The IUPAC name of 4-(4-methylpent-4-enylamino)butanoic acid (CID 118586409) is 4-(4-methylpent-4-enylamino)butanoic acid.
What is the SMILES notation for 4-(4-methylpent-4-enylamino)butanoic acid?
The canonical SMILES for 4-(4-methylpent-4-enylamino)butanoic acid is C=C(C)CCCNCCCC(=O)O.
What is the InChIKey of 4-(4-methylpent-4-enylamino)butanoic acid?
The InChIKey is CVMXGLRPVBBFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2)5-3-7-11-8-4-6-10(12)13/h11H,1,3-8H2,2H3,(H,12,13).
What are the key properties of 4-(4-methylpent-4-enylamino)butanoic acid?
4-(4-methylpent-4-enylamino)butanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpent-4-enylamino)butanoic acid is sourced from PubChem (CID 118586409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).