4-amino-2-butyl-6-methylheptanoic acid

C12H25NO2 — CID 57078249

IUPAC4-amino-2-butyl-6-methylheptanoic acid
SMILESCCCCC(CC(N)CC(C)C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-4-5-6-10(12(14)15)8-11(13)7-9(2)3/h9-11H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyOEVOJQUHLNQECT-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.64
Rot. Bonds8

About 4-amino-2-butyl-6-methylheptanoic acid

4-amino-2-butyl-6-methylheptanoic acid (PubChem CID 57078249) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-amino-2-butyl-6-methylheptanoic acid.

Molecular Properties

Compound Name4-amino-2-butyl-6-methylheptanoic acid
PubChem CID57078249
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-amino-2-butyl-6-methylheptanoic acid
SMILESCCCCC(CC(N)CC(C)C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-4-5-6-10(12(14)15)8-11(13)7-9(2)3/h9-11H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyOEVOJQUHLNQECT-UHFFFAOYSA-N
XLogP2.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butyl-6-methylheptanoic acid?
The IUPAC name of 4-amino-2-butyl-6-methylheptanoic acid (CID 57078249) is 4-amino-2-butyl-6-methylheptanoic acid.
What is the SMILES notation for 4-amino-2-butyl-6-methylheptanoic acid?
The canonical SMILES for 4-amino-2-butyl-6-methylheptanoic acid is CCCCC(CC(N)CC(C)C)C(=O)O.
What is the InChIKey of 4-amino-2-butyl-6-methylheptanoic acid?
The InChIKey is OEVOJQUHLNQECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-5-6-10(12(14)15)8-11(13)7-9(2)3/h9-11H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-2-butyl-6-methylheptanoic acid?
4-amino-2-butyl-6-methylheptanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butyl-6-methylheptanoic acid is sourced from PubChem (CID 57078249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).