methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate

C14H19NO3 — CID 43234866

IUPACmethyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(C2CC2)C2CC2)o1
InChIInChI=1S/C14H19NO3/c1-17-14(16)12-7-6-11(18-12)8-15-13(9-2-3-9)10-4-5-10/h6-7,9-10,13,15H,2-5,8H2,1H3
InChIKeyCKRBWBPVTFFPCN-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.34
Rot. Bonds6

About methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate

methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate (PubChem CID 43234866) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate
PubChem CID43234866
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(C2CC2)C2CC2)o1
InChIInChI=1S/C14H19NO3/c1-17-14(16)12-7-6-11(18-12)8-15-13(9-2-3-9)10-4-5-10/h6-7,9-10,13,15H,2-5,8H2,1H3
InChIKeyCKRBWBPVTFFPCN-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate
CID 115905012
methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65314992
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate chloride
CID 53314358
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate
CID 62396348
methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate
CID 75427648
methyl 5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate
CID 115908766
methyl 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367481
methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate
CID 81405878
methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate
CID 62304868
methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
CID 103923855

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate (CID 43234866) is methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate is COC(=O)c1ccc(CNC(C2CC2)C2CC2)o1.
What is the InChIKey of methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate?
The InChIKey is CKRBWBPVTFFPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-14(16)12-7-6-11(18-12)8-15-13(9-2-3-9)10-4-5-10/h6-7,9-10,13,15H,2-5,8H2,1H3.
What are the key properties of methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate?
methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 43234866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).