methyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate

C14H23NO4 — CID 106294446

IUPACmethyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate
SMILESCCCC(C)(O)CNC(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C14H23NO4/c1-5-8-14(3,17)9-15-10(2)11-6-7-12(19-11)13(16)18-4/h6-7,10,15,17H,5,8-9H2,1-4H3
InChIKeyPITHCKVJQDPUKL-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.27
Rot. Bonds7

About methyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate

methyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate (PubChem CID 106294446) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate
PubChem CID106294446
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate
SMILESCCCC(C)(O)CNC(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C14H23NO4/c1-5-8-14(3,17)9-15-10(2)11-6-7-12(19-11)13(16)18-4/h6-7,10,15,17H,5,8-9H2,1-4H3
InChIKeyPITHCKVJQDPUKL-UHFFFAOYSA-N
XLogP2.27
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]ethyl]furan-2-carboxylate
CID 103260398
methyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 106278498
methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate
CID 114169679
methyl 5-[1-(4,4,4-trifluorobutylamino)ethyl]furan-2-carboxylate
CID 103261934
methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate
CID 103253848
methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate
CID 103230134
methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate
CID 103246824
methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 103263193
1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol
CID 115719475
methyl 5-[1-(but-3-ynylamino)ethyl]furan-2-carboxylate
CID 103251131
methyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate
CID 114120002
methyl 5-(1-propylsulfanylethyl)furan-2-carboxylate
CID 79083901

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate (CID 106294446) is methyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate is CCCC(C)(O)CNC(C)c1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate?
The InChIKey is PITHCKVJQDPUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-8-14(3,17)9-15-10(2)11-6-7-12(19-11)13(16)18-4/h6-7,10,15,17H,5,8-9H2,1-4H3.
What are the key properties of methyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 106294446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).