4-amino-6-methyloctanoic acid

C9H19NO2 — CID 62961694

IUPAC4-amino-6-methyloctanoic acid
SMILESCCC(C)CC(N)CCC(=O)O
InChIInChI=1S/C9H19NO2/c1-3-7(2)6-8(10)4-5-9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyHTXOBAZAERPCKP-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.61
Rot. Bonds6

About 4-amino-6-methyloctanoic acid

4-amino-6-methyloctanoic acid (PubChem CID 62961694) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-amino-6-methyloctanoic acid.

Molecular Properties

Compound Name4-amino-6-methyloctanoic acid
PubChem CID62961694
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-amino-6-methyloctanoic acid
SMILESCCC(C)CC(N)CCC(=O)O
InChIInChI=1S/C9H19NO2/c1-3-7(2)6-8(10)4-5-9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyHTXOBAZAERPCKP-UHFFFAOYSA-N
XLogP1.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyloctanoic acid?
The IUPAC name of 4-amino-6-methyloctanoic acid (CID 62961694) is 4-amino-6-methyloctanoic acid.
What is the SMILES notation for 4-amino-6-methyloctanoic acid?
The canonical SMILES for 4-amino-6-methyloctanoic acid is CCC(C)CC(N)CCC(=O)O.
What is the InChIKey of 4-amino-6-methyloctanoic acid?
The InChIKey is HTXOBAZAERPCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-7(2)6-8(10)4-5-9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12).
What are the key properties of 4-amino-6-methyloctanoic acid?
4-amino-6-methyloctanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyloctanoic acid is sourced from PubChem (CID 62961694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).