2-amino-6-methylheptanoic acid

C8H17NO2 — CID 22326239

IUPAC2-amino-6-methylheptanoic acid
SMILESCC(C)CCCC(N)C(=O)O
InChIInChI=1S/C8H17NO2/c1-6(2)4-3-5-7(9)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyHDIIAKZNFLPDPT-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.22
Rot. Bonds5

About 2-amino-6-methylheptanoic acid

2-amino-6-methylheptanoic acid (PubChem CID 22326239) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-amino-6-methylheptanoic acid.

Molecular Properties

Compound Name2-amino-6-methylheptanoic acid
PubChem CID22326239
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-amino-6-methylheptanoic acid
SMILESCC(C)CCCC(N)C(=O)O
InChIInChI=1S/C8H17NO2/c1-6(2)4-3-5-7(9)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyHDIIAKZNFLPDPT-UHFFFAOYSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methylheptanoic acid?
The IUPAC name of 2-amino-6-methylheptanoic acid (CID 22326239) is 2-amino-6-methylheptanoic acid.
What is the SMILES notation for 2-amino-6-methylheptanoic acid?
The canonical SMILES for 2-amino-6-methylheptanoic acid is CC(C)CCCC(N)C(=O)O.
What is the InChIKey of 2-amino-6-methylheptanoic acid?
The InChIKey is HDIIAKZNFLPDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)4-3-5-7(9)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11).
What are the key properties of 2-amino-6-methylheptanoic acid?
2-amino-6-methylheptanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methylheptanoic acid is sourced from PubChem (CID 22326239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).