ethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride

C13H21ClN2O3 — CID 120909270

IUPACethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(CN2CC(C)C(N)C2)o1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-3-17-13(16)12-5-4-10(18-12)7-15-6-9(2)11(14)8-15;/h4-5,9,11H,3,6-8,14H2,1-2H3;1H
InChIKeyKTFICGKSQIOJTM-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.66
Rot. Bonds4

About ethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride

ethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride (PubChem CID 120909270) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.78 g/mol. Its IUPAC name is ethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride
PubChem CID120909270
Molecular FormulaC13H21ClN2O3
Molecular Weight288.78 g/mol
Exact Mass288.12
IUPAC Nameethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(CN2CC(C)C(N)C2)o1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-3-17-13(16)12-5-4-10(18-12)7-15-6-9(2)11(14)8-15;/h4-5,9,11H,3,6-8,14H2,1-2H3;1H
InChIKeyKTFICGKSQIOJTM-UHFFFAOYSA-N
XLogP1.66
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 103577076
ethyl 5-[(3-aminopyrrolidin-1-yl)methyl]furan-2-carboxylate;dihydrochloride
CID 167768464
methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate
CID 79868617
ethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride
CID 120906103
1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine
CID 103576720
ethyl (3S)-1-[(5-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 81338404
ethyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 103577213
2-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 120909628
ethyl 5-(2,2-dimethylpropyl)furan-2-carboxylate
CID 59637083
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
ethyl 5-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]furan-2-carboxylate
CID 120962633
ethyl 5-prop-2-enylfuran-2-carboxylate
CID 15418368

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride (CID 120909270) is ethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride is CCOC(=O)c1ccc(CN2CC(C)C(N)C2)o1.Cl.
What is the InChIKey of ethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride?
The InChIKey is KTFICGKSQIOJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3.ClH/c1-3-17-13(16)12-5-4-10(18-12)7-15-6-9(2)11(14)8-15;/h4-5,9,11H,3,6-8,14H2,1-2H3;1H.
What are the key properties of ethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride?
ethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride is sourced from PubChem (CID 120909270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).