2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-3-carboxylic acid

C11H15NO5 — CID 136575488

IUPAC2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCc1occc1C(=O)O
InChIInChI=1S/C11H15NO5/c1-11(2,3)17-10(15)12-6-8-7(9(13)14)4-5-16-8/h4-5H,6H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyNJYUCVXLDQXPBZ-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.00
Rot. Bonds3

About 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-3-carboxylic acid

2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-3-carboxylic acid (PubChem CID 136575488) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-3-carboxylic acid
PubChem CID136575488
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCc1occc1C(=O)O
InChIInChI=1S/C11H15NO5/c1-11(2,3)17-10(15)12-6-8-7(9(13)14)4-5-16-8/h4-5H,6H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyNJYUCVXLDQXPBZ-UHFFFAOYSA-N
XLogP2.00
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(furan-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 845080
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2362895
2-{[(3-Methyl-furan-2-carbonyl)-amino]-methyl}-furan-3-carboxylic acid
CID 587741
5-{[(5-Methyl-furan-3-carbonyl)-amino]-methyl}-furan-3-carboxylic acid
CID 573327
2-{[(5-Methyl-furan-2-carbonyl)-amino]-methyl}-furan-3-carboxylic acid
CID 768642
2-Piperidin-1-ylmethyl-furan-3-carboxylic acid hydrochloride
CID 2921000
2-Methyl-5-morpholin-4-ylmethyl-furan-3-carboxylic acid
CID 586928
2-Morpholin-4-ylmethyl-furan-3-carboxylic acid
CID 806406
ethyl N-(2,5-dimethyl-3-furoyl)glycinate
CID 2225422
5-({[(Tert-butoxy)carbonyl]amino}methyl)furan-3-carboxylic acid
CID 75478569
Methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate
CID 47018647
Methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate
CID 51075351

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-3-carboxylic acid (CID 136575488) is 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-3-carboxylic acid is CC(C)(C)OC(=O)NCc1occc1C(=O)O.
What is the InChIKey of 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-3-carboxylic acid?
The InChIKey is NJYUCVXLDQXPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-11(2,3)17-10(15)12-6-8-7(9(13)14)4-5-16-8/h4-5H,6H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-3-carboxylic acid?
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-3-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 136575488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).