methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate

C11H13NO5 — CID 139715315

IUPACmethyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate
SMILESCCOC(=O)Nc1cc(C(=O)OC)ccc1O
InChIInChI=1S/C11H13NO5/c1-3-17-11(15)12-8-6-7(10(14)16-2)4-5-9(8)13/h4-6,13H,3H2,1-2H3,(H,12,15)
InChIKeyXDFMEJZTNSGYOJ-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.75
Rot. Bonds3

About methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate

methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate (PubChem CID 139715315) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate
PubChem CID139715315
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Namemethyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate
SMILESCCOC(=O)Nc1cc(C(=O)OC)ccc1O
InChIInChI=1S/C11H13NO5/c1-3-17-11(15)12-8-6-7(10(14)16-2)4-5-9(8)13/h4-6,13H,3H2,1-2H3,(H,12,15)
InChIKeyXDFMEJZTNSGYOJ-UHFFFAOYSA-N
XLogP1.75
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(ethoxycarbonylamino)-4-methylbenzoate
CID 3309818
methyl 3-[(2-chloroacetyl)amino]-4-hydroxybenzoate
CID 66521938
methyl 4-hydroxy-3-methylbenzoate;propane
CID 145380615
methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948
ethyl 4-hydroxy-3-(methanesulfonamido)benzoate
CID 18982707
3-(ethoxycarbonylsulfamoylamino)-4-hydroxybenzoic acid
CID 107264892
methyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate
CID 79346581
methyl 3-(aminomethyl)-4-hydroxybenzoate;hydrochloride
CID 46786076
methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate
CID 100739583
(4-methoxycarbonylphenyl) 3-(ethoxycarbonylamino)benzoate
CID 26689674
methyl 3-(benzylamino)-4-hydroxybenzoate
CID 83317646
ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate
CID 70034657

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate?
The IUPAC name of methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate (CID 139715315) is methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate.
What is the SMILES notation for methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate?
The canonical SMILES for methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate is CCOC(=O)Nc1cc(C(=O)OC)ccc1O.
What is the InChIKey of methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate?
The InChIKey is XDFMEJZTNSGYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-3-17-11(15)12-8-6-7(10(14)16-2)4-5-9(8)13/h4-6,13H,3H2,1-2H3,(H,12,15).
What are the key properties of methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate?
methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate has a molecular weight of 239.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate is sourced from PubChem (CID 139715315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).