2-amino-6-hydroxy-2-methylhexanoic acid

C7H15NO3 — CID 22000473

IUPAC2-amino-6-hydroxy-2-methylhexanoic acid
SMILESCC(N)(CCCCO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-7(8,6(10)11)4-2-3-5-9/h9H,2-5,8H2,1H3,(H,10,11)
InChIKeyDFILVOXVDGGKKD-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.05
Rot. Bonds5

About 2-amino-6-hydroxy-2-methylhexanoic acid

2-amino-6-hydroxy-2-methylhexanoic acid (PubChem CID 22000473) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-amino-6-hydroxy-2-methylhexanoic acid.

Molecular Properties

Compound Name2-amino-6-hydroxy-2-methylhexanoic acid
PubChem CID22000473
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-amino-6-hydroxy-2-methylhexanoic acid
SMILESCC(N)(CCCCO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-7(8,6(10)11)4-2-3-5-9/h9H,2-5,8H2,1H3,(H,10,11)
InChIKeyDFILVOXVDGGKKD-UHFFFAOYSA-N
XLogP-0.05
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.05
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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Related Compounds

2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2,6-diamino-2-methylhexanoic acid
CID 3017540
(2S)-2-amino-6-borono-2-methylhexanoic acid
CID 53249972
2,8-diamino-2-methyloctanoic acid
CID 87814639
methyl 2-amino-6-hydroxy-2-methylhexanoate
CID 88883524
2-(4-hydroxybutyl)-2-methylpropanedioic acid
CID 11788743
18-hydroxy-2,2-dimethyloctadecanoic acid
CID 12988628
2-amino-2-methyldec-9-enoic acid
CID 76833646
(2S)-2-amino-2-methyldec-8-ynoic acid
CID 137350215
2-carbamoyl-8-hydroxy-2-methyloctanoic acid
CID 107708146
azane;5-hydroxy-2,2-dimethylpentanoic acid
CID 172678902
6-hydroxy-2,2-dimethylhexanamide
CID 21402976

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-hydroxy-2-methylhexanoic acid?
The IUPAC name of 2-amino-6-hydroxy-2-methylhexanoic acid (CID 22000473) is 2-amino-6-hydroxy-2-methylhexanoic acid.
What is the SMILES notation for 2-amino-6-hydroxy-2-methylhexanoic acid?
The canonical SMILES for 2-amino-6-hydroxy-2-methylhexanoic acid is CC(N)(CCCCO)C(=O)O.
What is the InChIKey of 2-amino-6-hydroxy-2-methylhexanoic acid?
The InChIKey is DFILVOXVDGGKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(8,6(10)11)4-2-3-5-9/h9H,2-5,8H2,1H3,(H,10,11).
What are the key properties of 2-amino-6-hydroxy-2-methylhexanoic acid?
2-amino-6-hydroxy-2-methylhexanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-hydroxy-2-methylhexanoic acid is sourced from PubChem (CID 22000473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).