methyl 2-(2-hydroxypropylamino)benzoate

C11H15NO3 — CID 13220321

IUPACmethyl 2-(2-hydroxypropylamino)benzoate
SMILESCOC(=O)c1ccccc1NCC(C)O
InChIInChI=1S/C11H15NO3/c1-8(13)7-12-10-6-4-3-5-9(10)11(14)15-2/h3-6,8,12-13H,7H2,1-2H3
InChIKeyZZLXICSKUNGFNQ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.27
Rot. Bonds4

About methyl 2-(2-hydroxypropylamino)benzoate

methyl 2-(2-hydroxypropylamino)benzoate (PubChem CID 13220321) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 2-(2-hydroxypropylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxypropylamino)benzoate
PubChem CID13220321
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl 2-(2-hydroxypropylamino)benzoate
SMILESCOC(=O)c1ccccc1NCC(C)O
InChIInChI=1S/C11H15NO3/c1-8(13)7-12-10-6-4-3-5-9(10)11(14)15-2/h3-6,8,12-13H,7H2,1-2H3
InChIKeyZZLXICSKUNGFNQ-UHFFFAOYSA-N
XLogP1.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(2-hydroxypropylamino)-2-oxoacetyl]amino]benzoate
CID 108512393
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 47122957
methyl 2-(2-methyldecylamino)benzoate
CID 3023984
dimethyl benzene-1,2-dicarboxylate;propane-1,2-diol
CID 70524314
methyl 2-(2,2-dimethylpropylamino)benzoate
CID 61325547
2-methylpropyl 2-(2-methylpropylamino)benzoate
CID 19428899
3-(2-methoxycarbonylanilino)propanoic acid
CID 15046919
methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate
CID 43321970
methyl 3-(2-ethylbutylamino)-2-methylbenzoate
CID 43714418
2-methylpropyl 2-[(3-chloro-2-hydroxypropyl)amino]benzoate
CID 168636561
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-(cyclopentylmethylamino)benzoate
CID 55030315

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxypropylamino)benzoate?
The IUPAC name of methyl 2-(2-hydroxypropylamino)benzoate (CID 13220321) is methyl 2-(2-hydroxypropylamino)benzoate.
What is the SMILES notation for methyl 2-(2-hydroxypropylamino)benzoate?
The canonical SMILES for methyl 2-(2-hydroxypropylamino)benzoate is COC(=O)c1ccccc1NCC(C)O.
What is the InChIKey of methyl 2-(2-hydroxypropylamino)benzoate?
The InChIKey is ZZLXICSKUNGFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(13)7-12-10-6-4-3-5-9(10)11(14)15-2/h3-6,8,12-13H,7H2,1-2H3.
What are the key properties of methyl 2-(2-hydroxypropylamino)benzoate?
methyl 2-(2-hydroxypropylamino)benzoate has a molecular weight of 209.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxypropylamino)benzoate is sourced from PubChem (CID 13220321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).