3-amino-4,6,6-trimethylheptanoic acid

C10H21NO2 — CID 83907086

IUPAC3-amino-4,6,6-trimethylheptanoic acid
SMILESCC(CC(C)(C)C)C(N)CC(=O)O
InChIInChI=1S/C10H21NO2/c1-7(6-10(2,3)4)8(11)5-9(12)13/h7-8H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyIUENJUYNFNRUEX-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.86
Rot. Bonds4

About 3-amino-4,6,6-trimethylheptanoic acid

3-amino-4,6,6-trimethylheptanoic acid (PubChem CID 83907086) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-amino-4,6,6-trimethylheptanoic acid.

Molecular Properties

Compound Name3-amino-4,6,6-trimethylheptanoic acid
PubChem CID83907086
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-amino-4,6,6-trimethylheptanoic acid
SMILESCC(CC(C)(C)C)C(N)CC(=O)O
InChIInChI=1S/C10H21NO2/c1-7(6-10(2,3)4)8(11)5-9(12)13/h7-8H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyIUENJUYNFNRUEX-UHFFFAOYSA-N
XLogP1.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6,6-trimethylheptanoic acid?
The IUPAC name of 3-amino-4,6,6-trimethylheptanoic acid (CID 83907086) is 3-amino-4,6,6-trimethylheptanoic acid.
What is the SMILES notation for 3-amino-4,6,6-trimethylheptanoic acid?
The canonical SMILES for 3-amino-4,6,6-trimethylheptanoic acid is CC(CC(C)(C)C)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4,6,6-trimethylheptanoic acid?
The InChIKey is IUENJUYNFNRUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(6-10(2,3)4)8(11)5-9(12)13/h7-8H,5-6,11H2,1-4H3,(H,12,13).
What are the key properties of 3-amino-4,6,6-trimethylheptanoic acid?
3-amino-4,6,6-trimethylheptanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6,6-trimethylheptanoic acid is sourced from PubChem (CID 83907086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).