methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate

C14H19NO3 — CID 103923811

IUPACmethyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCCC1=CCCC1
InChIInChI=1S/C14H19NO3/c1-17-14(16)13-12(7-9-18-13)10-15-8-6-11-4-2-3-5-11/h4,7,9,15H,2-3,5-6,8,10H2,1H3
InChIKeyMYDMZVPIRDJUPB-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.66
Rot. Bonds6

About methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate

methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate (PubChem CID 103923811) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate
PubChem CID103923811
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCCC1=CCCC1
InChIInChI=1S/C14H19NO3/c1-17-14(16)13-12(7-9-18-13)10-15-8-6-11-4-2-3-5-11/h4,7,9,15H,2-3,5-6,8,10H2,1H3
InChIKeyMYDMZVPIRDJUPB-UHFFFAOYSA-N
XLogP2.66
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methoxycarbonylfuran-3-yl)methylamino]butanoic acid
CID 60782689
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43424817
methyl 3-bromo-4-[[2-(cyclopenten-1-yl)ethylamino]methyl]benzoate
CID 106174082
methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate
CID 43425553
methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43425084
methyl 3-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]furan-2-carboxylate
CID 106395132
methyl 3-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-carboxylate
CID 103922825
methyl 3-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]furan-2-carboxylate
CID 80682811
N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide
CID 103845316
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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate (CID 103923811) is methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNCCC1=CCCC1.
What is the InChIKey of methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate?
The InChIKey is MYDMZVPIRDJUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-14(16)13-12(7-9-18-13)10-15-8-6-11-4-2-3-5-11/h4,7,9,15H,2-3,5-6,8,10H2,1H3.
What are the key properties of methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate?
methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 103923811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).