methyl 2-amino-6-hydroxy-2-methylhexanoate

C8H17NO3 — CID 88883524

IUPACmethyl 2-amino-6-hydroxy-2-methylhexanoate
SMILESCOC(=O)C(C)(N)CCCCO
InChIInChI=1S/C8H17NO3/c1-8(9,7(11)12-2)5-3-4-6-10/h10H,3-6,9H2,1-2H3
InChIKeyHXANBQWARXRUPF-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.04
Rot. Bonds5

About methyl 2-amino-6-hydroxy-2-methylhexanoate

methyl 2-amino-6-hydroxy-2-methylhexanoate (PubChem CID 88883524) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl 2-amino-6-hydroxy-2-methylhexanoate.

Molecular Properties

Compound Namemethyl 2-amino-6-hydroxy-2-methylhexanoate
PubChem CID88883524
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl 2-amino-6-hydroxy-2-methylhexanoate
SMILESCOC(=O)C(C)(N)CCCCO
InChIInChI=1S/C8H17NO3/c1-8(9,7(11)12-2)5-3-4-6-10/h10H,3-6,9H2,1-2H3
InChIKeyHXANBQWARXRUPF-UHFFFAOYSA-N
XLogP0.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-amino-6-hydroxy-2-methylhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-hydroxy-2-methylhexanoate?
The IUPAC name of methyl 2-amino-6-hydroxy-2-methylhexanoate (CID 88883524) is methyl 2-amino-6-hydroxy-2-methylhexanoate.
What is the SMILES notation for methyl 2-amino-6-hydroxy-2-methylhexanoate?
The canonical SMILES for methyl 2-amino-6-hydroxy-2-methylhexanoate is COC(=O)C(C)(N)CCCCO.
What is the InChIKey of methyl 2-amino-6-hydroxy-2-methylhexanoate?
The InChIKey is HXANBQWARXRUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(9,7(11)12-2)5-3-4-6-10/h10H,3-6,9H2,1-2H3.
What are the key properties of methyl 2-amino-6-hydroxy-2-methylhexanoate?
methyl 2-amino-6-hydroxy-2-methylhexanoate has a molecular weight of 175.23 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-hydroxy-2-methylhexanoate is sourced from PubChem (CID 88883524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).