methyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid

C10H22BNO3 — CID 88563098

IUPACmethyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid
SMILESCCC[C@H](NB(C)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22BNO3/c1-6-7-8(12-11(5)14)9(13)15-10(2,3)4/h8,12,14H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyVGTWTKBCLMYKBL-QMMMGPOBSA-N
MW215.10 g/mol
LogP1.20
Rot. Bonds5

About methyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid

methyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid (PubChem CID 88563098) has the molecular formula C10H22BNO3 and a molecular weight of 215.10 g/mol. Its IUPAC name is methyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid.

Molecular Properties

Compound Namemethyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid
PubChem CID88563098
Molecular FormulaC10H22BNO3
Molecular Weight215.10 g/mol
Exact Mass215.17
IUPAC Namemethyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid
SMILESCCC[C@H](NB(C)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22BNO3/c1-6-7-8(12-11(5)14)9(13)15-10(2,3)4/h8,12,14H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyVGTWTKBCLMYKBL-QMMMGPOBSA-N
XLogP1.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.10
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S)-2-(methylamino)pentanoate
CID 143115703
tert-butyl 2-(2-methylpropylamino)pentanoate
CID 75458085
tert-butyl (2R)-2-hydroxypentanoate
CID 90988150
tert-butyl (2R)-2-hydrazinylbutanoate
CID 140972061
N-[3-[4-(2-hydroxyethoxy)phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-methylboronamidic acid
CID 123750096
tert-butyl 2-(decylamino)decanoate
CID 151255865
tert-butyl (2R)-2-formyloxypentanoate
CID 91501739
ditert-butyl 2-methyl-5-propylhexanedioate
CID 175603524
tert-butyl 2-acetamidobutanoate
CID 14390034
tert-butyl 2-(2-iodopropan-2-yl)pentanoate
CID 88905157
tert-butyl 2-(ethylamino)-3-hydroxypropanoate
CID 146238971
methyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate
CID 141298428

Frequently Asked Questions

What is the IUPAC name of methyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid?
The IUPAC name of methyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid (CID 88563098) is methyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid.
What is the SMILES notation for methyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid?
The canonical SMILES for methyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid is CCC[C@H](NB(C)O)C(=O)OC(C)(C)C.
What is the InChIKey of methyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid?
The InChIKey is VGTWTKBCLMYKBL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H22BNO3/c1-6-7-8(12-11(5)14)9(13)15-10(2,3)4/h8,12,14H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of methyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid?
methyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid has a molecular weight of 215.10 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid is sourced from PubChem (CID 88563098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).