methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate

C12H18N2O4 — CID 43777897

IUPACmethyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCC(=O)NC(C)C
InChIInChI=1S/C12H18N2O4/c1-8(2)14-10(15)7-13-6-9-4-5-18-11(9)12(16)17-3/h4-5,8,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyLKFGCBYFHHLUHQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.68
Rot. Bonds6

About methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate

methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate (PubChem CID 43777897) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
PubChem CID43777897
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namemethyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCC(=O)NC(C)C
InChIInChI=1S/C12H18N2O4/c1-8(2)14-10(15)7-13-6-9-4-5-18-11(9)12(16)17-3/h4-5,8,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyLKFGCBYFHHLUHQ-UHFFFAOYSA-N
XLogP0.68
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate
CID 104928237
methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate
CID 113352553
methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate
CID 115904855
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)propan-2-ylamino]methyl]furan-2-carboxylate
CID 82945092
methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate
CID 61476816
methyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]furan-2-carboxylate
CID 103529404
methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate
CID 105415506
methyl 3-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65315678
methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate
CID 83006477

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate (CID 43777897) is methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNCC(=O)NC(C)C.
What is the InChIKey of methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate?
The InChIKey is LKFGCBYFHHLUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8(2)14-10(15)7-13-6-9-4-5-18-11(9)12(16)17-3/h4-5,8,13H,6-7H2,1-3H3,(H,14,15).
What are the key properties of methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate?
methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 43777897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).