ethyl 4-amino-1-(3-methoxypropyl)pyrrole-3-carboxylate;hydrochloride

C11H19ClN2O3 — CID 67079518

IUPACethyl 4-amino-1-(3-methoxypropyl)pyrrole-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cn(CCCOC)cc1N.Cl
InChIInChI=1S/C11H18N2O3.ClH/c1-3-16-11(14)9-7-13(8-10(9)12)5-4-6-15-2;/h7-8H,3-6,12H2,1-2H3;1H
InChIKeySXTFHINMLKNAIU-UHFFFAOYSA-N
MW262.74 g/mol
LogP1.71
Rot. Bonds6

About ethyl 4-amino-1-(3-methoxypropyl)pyrrole-3-carboxylate;hydrochloride

ethyl 4-amino-1-(3-methoxypropyl)pyrrole-3-carboxylate;hydrochloride (PubChem CID 67079518) has the molecular formula C11H19ClN2O3 and a molecular weight of 262.74 g/mol. Its IUPAC name is ethyl 4-amino-1-(3-methoxypropyl)pyrrole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-amino-1-(3-methoxypropyl)pyrrole-3-carboxylate;hydrochloride
PubChem CID67079518
Molecular FormulaC11H19ClN2O3
Molecular Weight262.74 g/mol
Exact Mass262.11
IUPAC Nameethyl 4-amino-1-(3-methoxypropyl)pyrrole-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cn(CCCOC)cc1N.Cl
InChIInChI=1S/C11H18N2O3.ClH/c1-3-16-11(14)9-7-13(8-10(9)12)5-4-6-15-2;/h7-8H,3-6,12H2,1-2H3;1H
InChIKeySXTFHINMLKNAIU-UHFFFAOYSA-N
XLogP1.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate
CID 67020934
ethyl 4-fluoro-1-tridecylpyrrole-3-carboxylate
CID 155368059
ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate
CID 143274795
ethyl 2-(3-methoxypropoxy)benzoate
CID 54075069
ethyl 6-iodo-1-(3-methoxypropyl)-4-oxoquinoline-3-carboxylate
CID 59415779
ethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate
CID 176705743
diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
CID 578820
diethyl 2,5-dibutoxybenzene-1,4-dicarboxylate
CID 639937
3-methoxypropyl 2-aminobenzoate
CID 61278385
ethyl 4-hydroxy-1-(3-methoxypropyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 142565074
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
ethyl 4,5-diamino-2-methylbenzoate
CID 171024820

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-(3-methoxypropyl)pyrrole-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-amino-1-(3-methoxypropyl)pyrrole-3-carboxylate;hydrochloride (CID 67079518) is ethyl 4-amino-1-(3-methoxypropyl)pyrrole-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-amino-1-(3-methoxypropyl)pyrrole-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-amino-1-(3-methoxypropyl)pyrrole-3-carboxylate;hydrochloride is CCOC(=O)c1cn(CCCOC)cc1N.Cl.
What is the InChIKey of ethyl 4-amino-1-(3-methoxypropyl)pyrrole-3-carboxylate;hydrochloride?
The InChIKey is SXTFHINMLKNAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3.ClH/c1-3-16-11(14)9-7-13(8-10(9)12)5-4-6-15-2;/h7-8H,3-6,12H2,1-2H3;1H.
What are the key properties of ethyl 4-amino-1-(3-methoxypropyl)pyrrole-3-carboxylate;hydrochloride?
ethyl 4-amino-1-(3-methoxypropyl)pyrrole-3-carboxylate;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-(3-methoxypropyl)pyrrole-3-carboxylate;hydrochloride is sourced from PubChem (CID 67079518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).