methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate

C12H19NO4 — CID 113352553

IUPACmethyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC(C)(C)C(C)O
InChIInChI=1S/C12H19NO4/c1-8(14)12(2,3)13-7-9-5-6-17-10(9)11(15)16-4/h5-6,8,13-14H,7H2,1-4H3
InChIKeyAHTFQSWWCOIKGQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.32
Rot. Bonds5

About methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate

methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate (PubChem CID 113352553) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate
PubChem CID113352553
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC(C)(C)C(C)O
InChIInChI=1S/C12H19NO4/c1-8(14)12(2,3)13-7-9-5-6-17-10(9)11(15)16-4/h5-6,8,13-14H,7H2,1-4H3
InChIKeyAHTFQSWWCOIKGQ-UHFFFAOYSA-N
XLogP1.32
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 3-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]furan-2-carboxylate
CID 113350256
methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
CID 43777897
methyl 3-[(4,4,4-trifluorobutan-2-ylamino)methyl]furan-2-carboxylate
CID 113472103
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-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate
CID 43776577
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 5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate
CID 115908766
methyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate
CID 43234477
methyl 3-bromo-4-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]benzoate
CID 102766892
methyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]furan-2-carboxylate
CID 103529404

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate (CID 113352553) is methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNC(C)(C)C(C)O.
What is the InChIKey of methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate?
The InChIKey is AHTFQSWWCOIKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8(14)12(2,3)13-7-9-5-6-17-10(9)11(15)16-4/h5-6,8,13-14H,7H2,1-4H3.
What are the key properties of methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate?
methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 113352553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).