(4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate

C11H21NO3 — CID 114341418

IUPAC(4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate
SMILESCC1(C)CCC(OC(=O)C(O)CN)CC1
InChIInChI=1S/C11H21NO3/c1-11(2)5-3-8(4-6-11)15-10(14)9(13)7-12/h8-9,13H,3-7,12H2,1-2H3
InChIKeyOQBWZRPRRGFVOM-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.82
Rot. Bonds3

About (4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate

(4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate (PubChem CID 114341418) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate
PubChem CID114341418
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate
SMILESCC1(C)CCC(OC(=O)C(O)CN)CC1
InChIInChI=1S/C11H21NO3/c1-11(2)5-3-8(4-6-11)15-10(14)9(13)7-12/h8-9,13H,3-7,12H2,1-2H3
InChIKeyOQBWZRPRRGFVOM-UHFFFAOYSA-N
XLogP0.82
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-dimethylcyclohexyl) 2-(aminomethyl)-3-methylbutanoate
CID 114341387
(4,4-dimethylcyclohexyl) 2-amino-3-methylpentanoate
CID 114341590
(4,4-dimethylcyclohexyl) 2-hydroxyacetate
CID 131154209
(4,4-dimethylcyclohexyl) (2R)-2-acetamido-3-sulfanylpropanoate
CID 107775776
(4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate
CID 114341414
cyclobutyl 2,3-dihydroxypropanoate
CID 141365540
(4,4-dimethylcyclohexyl) 4-amino-3-hydroxy-3-methylbutanoate
CID 114341456
(4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate
CID 107837520
(4,4-dimethylcyclohexyl) 2-amino-3-phenylpropanoate
CID 114341404
(4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate
CID 114341464
cycloheptyl (2S)-4-amino-2-hydroxybutanoate
CID 107837588
(4,4-dimethylcyclohexyl) 4-(2-aminoethyl)heptanoate
CID 114341582

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate?
The IUPAC name of (4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate (CID 114341418) is (4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate.
What is the SMILES notation for (4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate?
The canonical SMILES for (4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate is CC1(C)CCC(OC(=O)C(O)CN)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate?
The InChIKey is OQBWZRPRRGFVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2)5-3-8(4-6-11)15-10(14)9(13)7-12/h8-9,13H,3-7,12H2,1-2H3.
What are the key properties of (4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate?
(4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate has a molecular weight of 215.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate is sourced from PubChem (CID 114341418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).