6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid

C9H19NO3 — CID 173163481

IUPAC6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid
SMILESCC(O)C(C)(CCCCN)C(=O)O
InChIInChI=1S/C9H19NO3/c1-7(11)9(2,8(12)13)5-3-4-6-10/h7,11H,3-6,10H2,1-2H3,(H,12,13)
InChIKeyWPPMZFSPZORCMG-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.59
Rot. Bonds6

About 6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid

6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid (PubChem CID 173163481) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid.

Molecular Properties

Compound Name6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid
PubChem CID173163481
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid
SMILESCC(O)C(C)(CCCCN)C(=O)O
InChIInChI=1S/C9H19NO3/c1-7(11)9(2,8(12)13)5-3-4-6-10/h7,11H,3-6,10H2,1-2H3,(H,12,13)
InChIKeyWPPMZFSPZORCMG-UHFFFAOYSA-N
XLogP0.59
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid?
The IUPAC name of 6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid (CID 173163481) is 6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid.
What is the SMILES notation for 6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid?
The canonical SMILES for 6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid is CC(O)C(C)(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid?
The InChIKey is WPPMZFSPZORCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(11)9(2,8(12)13)5-3-4-6-10/h7,11H,3-6,10H2,1-2H3,(H,12,13).
What are the key properties of 6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid?
6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid is sourced from PubChem (CID 173163481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).