cycloheptyl (2S)-4-amino-2-hydroxybutanoate

C11H21NO3 — CID 107837588

IUPACcycloheptyl (2S)-4-amino-2-hydroxybutanoate
SMILESNCC[C@H](O)C(=O)OC1CCCCCC1
InChIInChI=1S/C11H21NO3/c12-8-7-10(13)11(14)15-9-5-3-1-2-4-6-9/h9-10,13H,1-8,12H2/t10-/m0/s1
InChIKeySAQUGJNQQLZGGZ-JTQLQIEISA-N
MW215.29 g/mol
LogP0.96
Rot. Bonds4

About cycloheptyl (2S)-4-amino-2-hydroxybutanoate

cycloheptyl (2S)-4-amino-2-hydroxybutanoate (PubChem CID 107837588) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is cycloheptyl (2S)-4-amino-2-hydroxybutanoate.

Molecular Properties

Compound Namecycloheptyl (2S)-4-amino-2-hydroxybutanoate
PubChem CID107837588
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namecycloheptyl (2S)-4-amino-2-hydroxybutanoate
SMILESNCC[C@H](O)C(=O)OC1CCCCCC1
InChIInChI=1S/C11H21NO3/c12-8-7-10(13)11(14)15-9-5-3-1-2-4-6-9/h9-10,13H,1-8,12H2/t10-/m0/s1
InChIKeySAQUGJNQQLZGGZ-JTQLQIEISA-N
XLogP0.96
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cycloheptyl (2S)-4-amino-2-hydroxybutanoate 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

oxan-4-yl 4-amino-2-hydroxybutanoate
CID 107837590
(4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate
CID 107837520
(3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate
CID 107837631
cyclobutyl 2,3-dihydroxypropanoate
CID 141365540
cyclohexyl 4-cyclohexylsulfanyl-2-hydroxy-4-oxobutanoate
CID 88519340
cycloheptyl 3-amino-2-methylpropanoate
CID 62668819
cyclohexyl 2,3-dihydroxypropanoate;hexyl 2,3-dihydroxypropanoate
CID 166679999
1-O-cyclohexyl 4-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-hydroxybutanedioate
CID 139675890
cyclohexyl 2-(aminomethyl)butanoate
CID 65220233
cycloheptyl 2-(2-aminoethoxy)acetate
CID 79464005
cyclopentyl (2S)-2-amino-2-cyclopropylacetate
CID 94554301
cyclohexyl 2-aminoacetate;hydrochloride
CID 14180607

Frequently Asked Questions

What is the IUPAC name of cycloheptyl (2S)-4-amino-2-hydroxybutanoate?
The IUPAC name of cycloheptyl (2S)-4-amino-2-hydroxybutanoate (CID 107837588) is cycloheptyl (2S)-4-amino-2-hydroxybutanoate.
What is the SMILES notation for cycloheptyl (2S)-4-amino-2-hydroxybutanoate?
The canonical SMILES for cycloheptyl (2S)-4-amino-2-hydroxybutanoate is NCC[C@H](O)C(=O)OC1CCCCCC1.
What is the InChIKey of cycloheptyl (2S)-4-amino-2-hydroxybutanoate?
The InChIKey is SAQUGJNQQLZGGZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO3/c12-8-7-10(13)11(14)15-9-5-3-1-2-4-6-9/h9-10,13H,1-8,12H2/t10-/m0/s1.
What are the key properties of cycloheptyl (2S)-4-amino-2-hydroxybutanoate?
cycloheptyl (2S)-4-amino-2-hydroxybutanoate has a molecular weight of 215.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl (2S)-4-amino-2-hydroxybutanoate is sourced from PubChem (CID 107837588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).