methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate

C15H23NO3 — CID 64922524

IUPACmethyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate
SMILESCCC1CCC(NCc2ccc(C(=O)OC)o2)C1C
InChIInChI=1S/C15H23NO3/c1-4-11-5-7-13(10(11)2)16-9-12-6-8-14(19-12)15(17)18-3/h6,8,10-11,13,16H,4-5,7,9H2,1-3H3
InChIKeyWRPNCMJYECUMOL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.98
Rot. Bonds5

About methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate

methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate (PubChem CID 64922524) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate
PubChem CID64922524
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate
SMILESCCC1CCC(NCc2ccc(C(=O)OC)o2)C1C
InChIInChI=1S/C15H23NO3/c1-4-11-5-7-13(10(11)2)16-9-12-6-8-14(19-12)15(17)18-3/h6,8,10-11,13,16H,4-5,7,9H2,1-3H3
InChIKeyWRPNCMJYECUMOL-UHFFFAOYSA-N
XLogP2.98
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate
CID 62396348
3-ethyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine
CID 64921560
methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate
CID 79416389
methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate
CID 64743370
4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide
CID 64922349
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-[(thian-3-ylamino)methyl]furan-2-carboxylate
CID 115882141
methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]acetate
CID 64920601
methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate
CID 43234866
N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate
CID 65471978

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate (CID 64922524) is methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate is CCC1CCC(NCc2ccc(C(=O)OC)o2)C1C.
What is the InChIKey of methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate?
The InChIKey is WRPNCMJYECUMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-11-5-7-13(10(11)2)16-9-12-6-8-14(19-12)15(17)18-3/h6,8,10-11,13,16H,4-5,7,9H2,1-3H3.
What are the key properties of methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate?
methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 64922524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).