(2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid

C21H27NO6 — CID 122444887

IUPAC(2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid
SMILESCC(C)[C@H](N)C(=O)O.COC(c1ccccc1)(c1ccccc1)[C@H](O)C(=O)O
InChIInChI=1S/C16H16O4.C5H11NO2/c1-20-16(14(17)15(18)19,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3(2)4(6)5(7)8/h2-11,14,17H,1H3,(H,18,19);3-4H,6H2,1-2H3,(H,7,8)/t14-;4-/m10/s1
InChIKeyOEIIWGDLPIOPMY-UBLHBHKYSA-N
MW389.45 g/mol
LogP2.08
Rot. Bonds7

About (2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid

(2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid (PubChem CID 122444887) has the molecular formula C21H27NO6 and a molecular weight of 389.45 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid
PubChem CID122444887
Molecular FormulaC21H27NO6
Molecular Weight389.45 g/mol
Exact Mass389.18
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid
SMILESCC(C)[C@H](N)C(=O)O.COC(c1ccccc1)(c1ccccc1)[C@H](O)C(=O)O
InChIInChI=1S/C16H16O4.C5H11NO2/c1-20-16(14(17)15(18)19,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3(2)4(6)5(7)8/h2-11,14,17H,1H3,(H,18,19);3-4H,6H2,1-2H3,(H,7,8)/t14-;4-/m10/s1
InChIKeyOEIIWGDLPIOPMY-UBLHBHKYSA-N
XLogP2.08
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-methylbutanoic acid;benzene;chloromethane
CID 159269253
3-methoxy-2-methoxycarbonyl-3,3-diphenylpropanoic acid
CID 163212872
(2S)-2-amino-3-methylbutanoic acid;2-hydroxy-2-phenylacetic acid
CID 67781255
2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid;(2S)-pyrrolidine-2-carboxamide
CID 174681345
methyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene
CID 91264746
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
(2S)-2-amino-3-methylbutanoic acid;phenylhydrazine
CID 70169116
2-amino-3-methylbutanoic acid;benzenesulfonic acid
CID 162223719
(2S)-2-amino-3-methylbutanoic acid;2-phenylacetic acid
CID 67721375
(2S)-2-amino-3-methylbutanoic acid;silyloxysilane
CID 173116914
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
2-amino-3-methylbutanoic acid;vanadium
CID 175123177

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid (CID 122444887) is (2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid is CC(C)[C@H](N)C(=O)O.COC(c1ccccc1)(c1ccccc1)[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid?
The InChIKey is OEIIWGDLPIOPMY-UBLHBHKYSA-N. The full InChI is InChI=1S/C16H16O4.C5H11NO2/c1-20-16(14(17)15(18)19,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3(2)4(6)5(7)8/h2-11,14,17H,1H3,(H,18,19);3-4H,6H2,1-2H3,(H,7,8)/t14-;4-/m10/s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid?
(2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid has a molecular weight of 389.45 g/mol, XLogP of 2.08, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid is sourced from PubChem (CID 122444887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).