methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate

C8H12N2O3 — CID 65364857

IUPACmethoxymethyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCOCOC(=O)c1cc(N)cn1C
InChIInChI=1S/C8H12N2O3/c1-10-4-6(9)3-7(10)8(11)13-5-12-2/h3-4H,5,9H2,1-2H3
InChIKeyLHMKHTWHAYUMDE-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.37
Rot. Bonds3

About methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate

methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate (PubChem CID 65364857) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethoxymethyl 4-amino-1-methylpyrrole-2-carboxylate
PubChem CID65364857
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Namemethoxymethyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCOCOC(=O)c1cc(N)cn1C
InChIInChI=1S/C8H12N2O3/c1-10-4-6(9)3-7(10)8(11)13-5-12-2/h3-4H,5,9H2,1-2H3
InChIKeyLHMKHTWHAYUMDE-UHFFFAOYSA-N
XLogP0.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65279686
2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 61322678
(2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 61322501
(3-methoxy-2,2-dimethyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 79620796
(3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 103036381
(3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 61323059
decyl 4-amino-1-methylpyrrole-2-carboxylate
CID 63450419
tert-butyl 4-amino-1-methylpyrrole-2-carboxylate
CID 45089376
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
(3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
CID 61322696
methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate
CID 58357323
(3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
CID 112651180

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate?
The IUPAC name of methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate (CID 65364857) is methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate is COCOC(=O)c1cc(N)cn1C.
What is the InChIKey of methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate?
The InChIKey is LHMKHTWHAYUMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-10-4-6(9)3-7(10)8(11)13-5-12-2/h3-4H,5,9H2,1-2H3.
What are the key properties of methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate?
methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 65364857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).