3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid

C16H17NO5 — CID 16655147

IUPAC3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cc(-c2ccccc2)oc1C(=O)O
InChIInChI=1S/C16H17NO5/c1-16(2,3)22-15(20)17-11-9-12(21-13(11)14(18)19)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,20)(H,18,19)
InChIKeyTUYQYDXKAMIWAF-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.99
Rot. Bonds3

About 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid

3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid (PubChem CID 16655147) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid
PubChem CID16655147
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cc(-c2ccccc2)oc1C(=O)O
InChIInChI=1S/C16H17NO5/c1-16(2,3)22-15(20)17-11-9-12(21-13(11)14(18)19)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,20)(H,18,19)
InChIKeyTUYQYDXKAMIWAF-UHFFFAOYSA-N
XLogP3.99
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylbenzoic acid
CID 118990603
tert-butyl N-(5-amino-2-phenylphenyl)carbamate
CID 68789510
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid
CID 174848099
tert-butyl N-[2-fluoro-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]carbamate
CID 86970309
2-[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoacetic acid
CID 117451247
methyl 5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate
CID 168911909
[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
CID 144745130
2,5-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 122204937
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid
CID 58182168
2-[4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoacetic acid
CID 117455185

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid (CID 16655147) is 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid is CC(C)(C)OC(=O)Nc1cc(-c2ccccc2)oc1C(=O)O.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid?
The InChIKey is TUYQYDXKAMIWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-16(2,3)22-15(20)17-11-9-12(21-13(11)14(18)19)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid?
3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid is sourced from PubChem (CID 16655147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).