5-amino-2-methylidenehexanoic acid

C7H13NO2 — CID 22381202

IUPAC5-amino-2-methylidenehexanoic acid
SMILESC=C(CCC(C)N)C(=O)O
InChIInChI=1S/C7H13NO2/c1-5(7(9)10)3-4-6(2)8/h6H,1,3-4,8H2,2H3,(H,9,10)
InChIKeyUPGHUFNUJOSYSK-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.75
Rot. Bonds4

About 5-amino-2-methylidenehexanoic acid

5-amino-2-methylidenehexanoic acid (PubChem CID 22381202) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-amino-2-methylidenehexanoic acid.

Molecular Properties

Compound Name5-amino-2-methylidenehexanoic acid
PubChem CID22381202
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name5-amino-2-methylidenehexanoic acid
SMILESC=C(CCC(C)N)C(=O)O
InChIInChI=1S/C7H13NO2/c1-5(7(9)10)3-4-6(2)8/h6H,1,3-4,8H2,2H3,(H,9,10)
InChIKeyUPGHUFNUJOSYSK-UHFFFAOYSA-N
XLogP0.75
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methylidenehexanoic acid?
The IUPAC name of 5-amino-2-methylidenehexanoic acid (CID 22381202) is 5-amino-2-methylidenehexanoic acid.
What is the SMILES notation for 5-amino-2-methylidenehexanoic acid?
The canonical SMILES for 5-amino-2-methylidenehexanoic acid is C=C(CCC(C)N)C(=O)O.
What is the InChIKey of 5-amino-2-methylidenehexanoic acid?
The InChIKey is UPGHUFNUJOSYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(7(9)10)3-4-6(2)8/h6H,1,3-4,8H2,2H3,(H,9,10).
What are the key properties of 5-amino-2-methylidenehexanoic acid?
5-amino-2-methylidenehexanoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methylidenehexanoic acid is sourced from PubChem (CID 22381202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).