methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate

C13H19NO3 — CID 43775570

IUPACmethyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCC1CCCC1
InChIInChI=1S/C13H19NO3/c1-16-13(15)12-11(6-7-17-12)9-14-8-10-4-2-3-5-10/h6-7,10,14H,2-5,8-9H2,1H3
InChIKeyUSXOUGDBOHSMNH-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.35
Rot. Bonds5

About methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate

methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate (PubChem CID 43775570) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
PubChem CID43775570
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCC1CCCC1
InChIInChI=1S/C13H19NO3/c1-16-13(15)12-11(6-7-17-12)9-14-8-10-4-2-3-5-10/h6-7,10,14H,2-5,8-9H2,1H3
InChIKeyUSXOUGDBOHSMNH-UHFFFAOYSA-N
XLogP2.35
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate 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

3-[(cyclohexylmethylamino)methyl]furan-2-carboxylic acid
CID 103237829
methyl 3-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]furan-2-carboxylate
CID 81039312
methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate
CID 105415506
methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
CID 43777897
methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43424817
methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
CID 103827308
methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate
CID 43425240
methyl 3-[[(2-tert-butylcyclohexyl)amino]methyl]furan-2-carboxylate
CID 43435730
1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]methanamine
CID 97035488
methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate
CID 103923811
4-[(2-methoxycarbonylfuran-3-yl)methylamino]butanoic acid
CID 60782689
methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate
CID 103921879

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate (CID 43775570) is methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate is COC(=O)c1occc1CNCC1CCCC1.
What is the InChIKey of methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate?
The InChIKey is USXOUGDBOHSMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-13(15)12-11(6-7-17-12)9-14-8-10-4-2-3-5-10/h6-7,10,14H,2-5,8-9H2,1H3.
What are the key properties of methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate?
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 43775570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).