methyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate

C12H19NO5 — CID 103923151

IUPACmethyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate
SMILESCOCC(CCO)NCc1ccoc1C(=O)OC
InChIInChI=1S/C12H19NO5/c1-16-8-10(3-5-14)13-7-9-4-6-18-11(9)12(15)17-2/h4,6,10,13-14H,3,5,7-8H2,1-2H3
InChIKeyDGFFMBRVRHNMLB-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.55
Rot. Bonds8

About methyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate

methyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate (PubChem CID 103923151) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate
PubChem CID103923151
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Namemethyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate
SMILESCOCC(CCO)NCc1ccoc1C(=O)OC
InChIInChI=1S/C12H19NO5/c1-16-8-10(3-5-14)13-7-9-4-6-18-11(9)12(15)17-2/h4,6,10,13-14H,3,5,7-8H2,1-2H3
InChIKeyDGFFMBRVRHNMLB-UHFFFAOYSA-N
XLogP0.55
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid
CID 106162250
methyl 3-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65315678
methyl 3-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]furan-2-carboxylate
CID 103923910
methyl 3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]furan-2-carboxylate
CID 102673425
methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate
CID 61476816
methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate
CID 43776577
methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate
CID 103922966
methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate
CID 81402967
methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate
CID 82945092
methyl 3-[(4,4,4-trifluorobutan-2-ylamino)methyl]furan-2-carboxylate
CID 113472103
methyl 3-[(1-phenylbutylamino)methyl]furan-2-carboxylate
CID 43234815
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-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate (CID 103923151) is methyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate is COCC(CCO)NCc1ccoc1C(=O)OC.
What is the InChIKey of methyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate?
The InChIKey is DGFFMBRVRHNMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-16-8-10(3-5-14)13-7-9-4-6-18-11(9)12(15)17-2/h4,6,10,13-14H,3,5,7-8H2,1-2H3.
What are the key properties of methyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate?
methyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 103923151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).