methyl 4-(2-hydroxyethoxycarbonylamino)benzoate

C11H13NO5 — CID 79346274

IUPACmethyl 4-(2-hydroxyethoxycarbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)OCCO)cc1
InChIInChI=1S/C11H13NO5/c1-16-10(14)8-2-4-9(5-3-8)12-11(15)17-7-6-13/h2-5,13H,6-7H2,1H3,(H,12,15)
InChIKeyRPXPIEQFBYIUSA-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.01
Rot. Bonds4

About methyl 4-(2-hydroxyethoxycarbonylamino)benzoate

methyl 4-(2-hydroxyethoxycarbonylamino)benzoate (PubChem CID 79346274) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 4-(2-hydroxyethoxycarbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-hydroxyethoxycarbonylamino)benzoate
PubChem CID79346274
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Namemethyl 4-(2-hydroxyethoxycarbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)OCCO)cc1
InChIInChI=1S/C11H13NO5/c1-16-10(14)8-2-4-9(5-3-8)12-11(15)17-7-6-13/h2-5,13H,6-7H2,1H3,(H,12,15)
InChIKeyRPXPIEQFBYIUSA-UHFFFAOYSA-N
XLogP1.01
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxyethyl N-[4-(methylcarbamoyl)phenyl]carbamate
CID 79345758
2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate
CID 79346307
2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate
CID 79346016
methyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate
CID 79346581
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
CID 170966813
2-hydroxyethyl N-(4-propoxyphenyl)carbamate
CID 79348792
2-hydroxyethyl N-[4-(prop-2-enylcarbamoyl)phenyl]carbamate
CID 79345304
methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108524295
2-hydroxyethyl N-(4-cyanophenyl)carbamate
CID 79345947
ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate
CID 70810353
ethyl 4-(2-chloroethoxycarbonylamino)benzoate
CID 589550

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-hydroxyethoxycarbonylamino)benzoate?
The IUPAC name of methyl 4-(2-hydroxyethoxycarbonylamino)benzoate (CID 79346274) is methyl 4-(2-hydroxyethoxycarbonylamino)benzoate.
What is the SMILES notation for methyl 4-(2-hydroxyethoxycarbonylamino)benzoate?
The canonical SMILES for methyl 4-(2-hydroxyethoxycarbonylamino)benzoate is COC(=O)c1ccc(NC(=O)OCCO)cc1.
What is the InChIKey of methyl 4-(2-hydroxyethoxycarbonylamino)benzoate?
The InChIKey is RPXPIEQFBYIUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-16-10(14)8-2-4-9(5-3-8)12-11(15)17-7-6-13/h2-5,13H,6-7H2,1H3,(H,12,15).
What are the key properties of methyl 4-(2-hydroxyethoxycarbonylamino)benzoate?
methyl 4-(2-hydroxyethoxycarbonylamino)benzoate has a molecular weight of 239.23 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-hydroxyethoxycarbonylamino)benzoate is sourced from PubChem (CID 79346274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).