methyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride

C7H11ClN2O3 — CID 175811808

IUPACmethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride
SMILESCOC(=O)c1[nH]cc(OC)c1N.Cl
InChIInChI=1S/C7H10N2O3.ClH/c1-11-4-3-9-6(5(4)8)7(10)12-2;/h3,9H,8H2,1-2H3;1H
InChIKeyGRUCPJRYNUTRTK-UHFFFAOYSA-N
MW206.63 g/mol
LogP0.81
Rot. Bonds2

About methyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride

methyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride (PubChem CID 175811808) has the molecular formula C7H11ClN2O3 and a molecular weight of 206.63 g/mol. Its IUPAC name is methyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride
PubChem CID175811808
Molecular FormulaC7H11ClN2O3
Molecular Weight206.63 g/mol
Exact Mass206.05
IUPAC Namemethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride
SMILESCOC(=O)c1[nH]cc(OC)c1N.Cl
InChIInChI=1S/C7H10N2O3.ClH/c1-11-4-3-9-6(5(4)8)7(10)12-2;/h3,9H,8H2,1-2H3;1H
InChIKeyGRUCPJRYNUTRTK-UHFFFAOYSA-N
XLogP0.81
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride?
The IUPAC name of methyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride (CID 175811808) is methyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride is COC(=O)c1[nH]cc(OC)c1N.Cl.
What is the InChIKey of methyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride?
The InChIKey is GRUCPJRYNUTRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3.ClH/c1-11-4-3-9-6(5(4)8)7(10)12-2;/h3,9H,8H2,1-2H3;1H.
What are the key properties of methyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride?
methyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride has a molecular weight of 206.63 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride is sourced from PubChem (CID 175811808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).