6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid

C10H21NO3 — CID 137482879

IUPAC6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid
SMILESCC(C)(CCC(=O)O)CC(C)(N)CO
InChIInChI=1S/C10H21NO3/c1-9(2,5-4-8(13)14)6-10(3,11)7-12/h12H,4-7,11H2,1-3H3,(H,13,14)
InChIKeyUOLGNMSEPDAKAR-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.98
Rot. Bonds6

About 6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid

6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid (PubChem CID 137482879) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid.

Molecular Properties

Compound Name6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid
PubChem CID137482879
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid
SMILESCC(C)(CCC(=O)O)CC(C)(N)CO
InChIInChI=1S/C10H21NO3/c1-9(2,5-4-8(13)14)6-10(3,11)7-12/h12H,4-7,11H2,1-3H3,(H,13,14)
InChIKeyUOLGNMSEPDAKAR-UHFFFAOYSA-N
XLogP0.98
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4,4,6-trimethylheptanoic acid
CID 137482851
4,4,6,6,8,8-hexamethylnonanoic acid
CID 134471659
4-amino-4-methylpentanoic acid
CID 158438218
4,4-dimethylhexanoic acid
CID 12563914
7-methoxy-4,4,6,6-tetramethylheptanoic acid
CID 123236488
4,5-dihydroxy-4-methylpentanoic acid
CID 55303456
4,4,6,6-tetramethyl-8-oxodecanoic acid
CID 89192992
4,4-dimethyl-6-oxoheptanoic acid
CID 15559932
4,4-diaminoheptanedioic acid
CID 158684867
4,4-dimethyl-6-sulfamoylhexanoic acid
CID 10609142
2-amino-2,4-dimethylpentane-1,4-diol
CID 134172713
5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid
CID 169158624

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid?
The IUPAC name of 6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid (CID 137482879) is 6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid.
What is the SMILES notation for 6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid?
The canonical SMILES for 6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid is CC(C)(CCC(=O)O)CC(C)(N)CO.
What is the InChIKey of 6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid?
The InChIKey is UOLGNMSEPDAKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(2,5-4-8(13)14)6-10(3,11)7-12/h12H,4-7,11H2,1-3H3,(H,13,14).
What are the key properties of 6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid?
6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid has a molecular weight of 203.28 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid is sourced from PubChem (CID 137482879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).