methanol;methyl 4-[(1S)-1-aminoethyl]benzoate

C11H17NO3 — CID 143623617

IUPACmethanol;methyl 4-[(1S)-1-aminoethyl]benzoate
SMILESCO.COC(=O)c1ccc([C@H](C)N)cc1
InChIInChI=1S/C10H13NO2.CH4O/c1-7(11)8-3-5-9(6-4-8)10(12)13-2;1-2/h3-7H,11H2,1-2H3;2H,1H3/t7-;/m0./s1
InChIKeyUJRMILKLCGAJQX-FJXQXJEOSA-N
MW211.26 g/mol
LogP1.10
Rot. Bonds2

About methanol;methyl 4-[(1S)-1-aminoethyl]benzoate

methanol;methyl 4-[(1S)-1-aminoethyl]benzoate (PubChem CID 143623617) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methanol;methyl 4-[(1S)-1-aminoethyl]benzoate.

Molecular Properties

Compound Namemethanol;methyl 4-[(1S)-1-aminoethyl]benzoate
PubChem CID143623617
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethanol;methyl 4-[(1S)-1-aminoethyl]benzoate
SMILESCO.COC(=O)c1ccc([C@H](C)N)cc1
InChIInChI=1S/C10H13NO2.CH4O/c1-7(11)8-3-5-9(6-4-8)10(12)13-2;1-2/h3-7H,11H2,1-2H3;2H,1H3/t7-;/m0./s1
InChIKeyUJRMILKLCGAJQX-FJXQXJEOSA-N
XLogP1.10
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate
CID 10082311
methyl 4-[amino(iodo)methyl]benzoate
CID 140524482
methyl 4-[1-(4-aminophenyl)ethyl]benzoate
CID 175023577
methyl 4-[(1R)-1,2-diaminoethyl]benzoate
CID 66516439
methyl 4-[(2S)-1-acetyloxypropan-2-yl]benzoate
CID 10376814
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
tert-butyl 4-[(1R)-1-aminoethyl]benzoate;hydrochloride
CID 67395949
methyl 4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 51601300
methyl 4-(1-bromo-2-methoxy-2-oxoethyl)benzoate
CID 121006519
methyl 4-(1-nitrosoethyl)benzoate
CID 90703909
1-[4-(1-aminoethyl)phenyl]ethanone
CID 45086260
methyl 3-[(1S)-1-aminoethyl]benzoate;hydrochloride
CID 74889916

Frequently Asked Questions

What is the IUPAC name of methanol;methyl 4-[(1S)-1-aminoethyl]benzoate?
The IUPAC name of methanol;methyl 4-[(1S)-1-aminoethyl]benzoate (CID 143623617) is methanol;methyl 4-[(1S)-1-aminoethyl]benzoate.
What is the SMILES notation for methanol;methyl 4-[(1S)-1-aminoethyl]benzoate?
The canonical SMILES for methanol;methyl 4-[(1S)-1-aminoethyl]benzoate is CO.COC(=O)c1ccc([C@H](C)N)cc1.
What is the InChIKey of methanol;methyl 4-[(1S)-1-aminoethyl]benzoate?
The InChIKey is UJRMILKLCGAJQX-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H13NO2.CH4O/c1-7(11)8-3-5-9(6-4-8)10(12)13-2;1-2/h3-7H,11H2,1-2H3;2H,1H3/t7-;/m0./s1.
What are the key properties of methanol;methyl 4-[(1S)-1-aminoethyl]benzoate?
methanol;methyl 4-[(1S)-1-aminoethyl]benzoate has a molecular weight of 211.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl 4-[(1S)-1-aminoethyl]benzoate is sourced from PubChem (CID 143623617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).