(2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate

C10H21NO3 — CID 163741981

IUPAC(2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate
SMILESCCC(C)(C)CC(O)COC(=O)CN
InChIInChI=1S/C10H21NO3/c1-4-10(2,3)5-8(12)7-14-9(13)6-11/h8,12H,4-7,11H2,1-3H3
InChIKeyLINZXXANGJOLHD-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.68
Rot. Bonds6

About (2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate

(2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate (PubChem CID 163741981) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate.

Molecular Properties

Compound Name(2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate
PubChem CID163741981
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate
SMILESCCC(C)(C)CC(O)COC(=O)CN
InChIInChI=1S/C10H21NO3/c1-4-10(2,3)5-8(12)7-14-9(13)6-11/h8,12H,4-7,11H2,1-3H3
InChIKeyLINZXXANGJOLHD-UHFFFAOYSA-N
XLogP0.68
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate with MolForge

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

Launch Full Analysis

Related Compounds

[(2S)-2-amino-3-oxopentyl] 2-aminoacetate
CID 162175128
[(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate
CID 168824974
1-O-(2-hydroxy-4,4-dimethylhexyl) 4-O-(2-hydroxy-3,3-dimethylpentyl) benzene-1,4-dicarboxylate
CID 146178831
[3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate
CID 91467511
(2-hydroxy-3-propanoyloxypropyl) 2,2-dimethylbutanoate
CID 140925910
5-(2-hydroxy-4,4-dimethylhexoxy)-5-methylheptan-3-ol
CID 134416227
[2-hydroxy-3-[(3R)-3,5,5-trimethylhexanoyl]oxypropyl] (3R)-3,5,5-trimethylhexanoate
CID 93484834
bis(2-hydroxybutyl) propanedioate
CID 90337144
ethyl 2-aminoacetate
CID 45039361
4,4-dimethylhexan-2-yl 2-methylpropanoate
CID 89041122
[(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate
CID 175926950
2,2-dimethylbutyl 2-amino-3-methylbutanoate;2,2-dimethylpropyl 2-aminoacetate;2-methylpropane;propane
CID 154666048

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate?
The IUPAC name of (2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate (CID 163741981) is (2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate.
What is the SMILES notation for (2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate?
The canonical SMILES for (2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate is CCC(C)(C)CC(O)COC(=O)CN.
What is the InChIKey of (2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate?
The InChIKey is LINZXXANGJOLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-10(2,3)5-8(12)7-14-9(13)6-11/h8,12H,4-7,11H2,1-3H3.
What are the key properties of (2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate?
(2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate has a molecular weight of 203.28 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate is sourced from PubChem (CID 163741981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).