methyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene

C15H25NO6 — CID 91264746

IUPACmethyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene
SMILESCOC(=O)[C@H](N)[C@H](C)O.COC(OC)(OC)c1ccccc1
InChIInChI=1S/C10H14O3.C5H11NO3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9;1-3(7)4(6)5(8)9-2/h4-8H,1-3H3;3-4,7H,6H2,1-2H3/t;3-,4+/m.0/s1
InChIKeyRHODEKQAEIGLJI-RKNXPSPHSA-N
MW315.37 g/mol
LogP0.60
Rot. Bonds6

About methyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene

methyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene (PubChem CID 91264746) has the molecular formula C15H25NO6 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene.

Molecular Properties

Compound Namemethyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene
PubChem CID91264746
Molecular FormulaC15H25NO6
Molecular Weight315.37 g/mol
Exact Mass315.17
IUPAC Namemethyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene
SMILESCOC(=O)[C@H](N)[C@H](C)O.COC(OC)(OC)c1ccccc1
InChIInChI=1S/C10H14O3.C5H11NO3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9;1-3(7)4(6)5(8)9-2/h4-8H,1-3H3;3-4,7H,6H2,1-2H3/t;3-,4+/m.0/s1
InChIKeyRHODEKQAEIGLJI-RKNXPSPHSA-N
XLogP0.60
TPSA100.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (3S)-3-hydroxy-2-(tritylamino)butanoate
CID 59698250
methyl 3-amino-2-hydroxy-3-phenylbutanoate
CID 74334118
(2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid
CID 122444887
methyl 2-amino-3-[4-(trifluoromethyl)phenyl]butanoate
CID 90894430
3-methoxy-2-methoxycarbonyl-3,3-diphenylpropanoic acid
CID 163212872
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
[hydroperoxy(dimethoxy)methyl]benzene
CID 58623589
methyl 3,3,3-triphenyl-2-sulfanylpropanoate
CID 54400813
methyl 2-amino-4,4,4-trifluoro-3-phenylbutanoate
CID 68725831
methyl 2-amino-4,4-difluoro-4-phenylbutanoate
CID 66940111
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
(1-methoxy-3-methyl-1-oxo-3-phenylbutan-2-yl)phosphonic acid
CID 57196797

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene?
The IUPAC name of methyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene (CID 91264746) is methyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene.
What is the SMILES notation for methyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene?
The canonical SMILES for methyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene is COC(=O)[C@H](N)[C@H](C)O.COC(OC)(OC)c1ccccc1.
What is the InChIKey of methyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene?
The InChIKey is RHODEKQAEIGLJI-RKNXPSPHSA-N. The full InChI is InChI=1S/C10H14O3.C5H11NO3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9;1-3(7)4(6)5(8)9-2/h4-8H,1-3H3;3-4,7H,6H2,1-2H3/t;3-,4+/m.0/s1.
What are the key properties of methyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene?
methyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene has a molecular weight of 315.37 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene is sourced from PubChem (CID 91264746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).