ethyl 3-(aminomethyl)furan-2-carboxylate;hydrochloride

C8H12ClNO3 — CID 53444454

IUPACethyl 3-(aminomethyl)furan-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1occc1CN.Cl
InChIInChI=1S/C8H11NO3.ClH/c1-2-11-8(10)7-6(5-9)3-4-12-7;/h3-4H,2,5,9H2,1H3;1H
InChIKeyNLSQQODMRQBDSD-UHFFFAOYSA-N
MW205.64 g/mol
LogP1.34
Rot. Bonds3

About ethyl 3-(aminomethyl)furan-2-carboxylate;hydrochloride

ethyl 3-(aminomethyl)furan-2-carboxylate;hydrochloride (PubChem CID 53444454) has the molecular formula C8H12ClNO3 and a molecular weight of 205.64 g/mol. Its IUPAC name is ethyl 3-(aminomethyl)furan-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-(aminomethyl)furan-2-carboxylate;hydrochloride
PubChem CID53444454
Molecular FormulaC8H12ClNO3
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Nameethyl 3-(aminomethyl)furan-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1occc1CN.Cl
InChIInChI=1S/C8H11NO3.ClH/c1-2-11-8(10)7-6(5-9)3-4-12-7;/h3-4H,2,5,9H2,1H3;1H
InChIKeyNLSQQODMRQBDSD-UHFFFAOYSA-N
XLogP1.34
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(aminomethyl)furan-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 3-(aminomethyl)furan-2-carboxylate;hydrochloride (CID 53444454) is ethyl 3-(aminomethyl)furan-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 3-(aminomethyl)furan-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 3-(aminomethyl)furan-2-carboxylate;hydrochloride is CCOC(=O)c1occc1CN.Cl.
What is the InChIKey of ethyl 3-(aminomethyl)furan-2-carboxylate;hydrochloride?
The InChIKey is NLSQQODMRQBDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3.ClH/c1-2-11-8(10)7-6(5-9)3-4-12-7;/h3-4H,2,5,9H2,1H3;1H.
What are the key properties of ethyl 3-(aminomethyl)furan-2-carboxylate;hydrochloride?
ethyl 3-(aminomethyl)furan-2-carboxylate;hydrochloride has a molecular weight of 205.64 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(aminomethyl)furan-2-carboxylate;hydrochloride is sourced from PubChem (CID 53444454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).