methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate

C11H15NO3 — CID 10330711

IUPACmethyl 4-[2-(hydroxyamino)propan-2-yl]benzoate
SMILESCOC(=O)c1ccc(C(C)(C)NO)cc1
InChIInChI=1S/C11H15NO3/c1-11(2,12-14)9-6-4-8(5-7-9)10(13)15-3/h4-7,12,14H,1-3H3
InChIKeyGLFIVHNCKQNEGQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.69
Rot. Bonds3

About methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate

methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate (PubChem CID 10330711) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(hydroxyamino)propan-2-yl]benzoate
PubChem CID10330711
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl 4-[2-(hydroxyamino)propan-2-yl]benzoate
SMILESCOC(=O)c1ccc(C(C)(C)NO)cc1
InChIInChI=1S/C11H15NO3/c1-11(2,12-14)9-6-4-8(5-7-9)10(13)15-3/h4-7,12,14H,1-3H3
InChIKeyGLFIVHNCKQNEGQ-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(2R,3R)-2,3-dihydroxy-3-(4-methoxycarbonylphenyl)butan-2-yl]benzoate
CID 11132081
methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate
CID 122488284
methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride
CID 75365746
methyl 4-[4-(4-methoxycarbonylphenyl)-3,4-dimethylhexan-3-yl]benzoate
CID 139675985
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzoate
CID 134274011
dimethyl benzene-1,4-dicarboxylate;methanol;terephthalic acid
CID 159205173
CID 67391169
CID 67391169
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
4-[2-(4-methoxycarbonylphenyl)-2-oxoacetyl]benzoic acid
CID 170457455
1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
CID 158994697
methyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate
CID 67257411

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate?
The IUPAC name of methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate (CID 10330711) is methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate.
What is the SMILES notation for methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate?
The canonical SMILES for methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate is COC(=O)c1ccc(C(C)(C)NO)cc1.
What is the InChIKey of methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate?
The InChIKey is GLFIVHNCKQNEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,12-14)9-6-4-8(5-7-9)10(13)15-3/h4-7,12,14H,1-3H3.
What are the key properties of methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate?
methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate has a molecular weight of 209.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate is sourced from PubChem (CID 10330711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).