5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid

C11H15NO5 — CID 104764741

IUPAC5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid
SMILESCOC(C)(C)CNC(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H15NO5/c1-11(2,16-3)6-12-9(13)7-4-5-8(17-7)10(14)15/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyALPJLVAMPKURJD-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.13
Rot. Bonds5

About 5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid

5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid (PubChem CID 104764741) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid
PubChem CID104764741
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid
SMILESCOC(C)(C)CNC(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H15NO5/c1-11(2,16-3)6-12-9(13)7-4-5-8(17-7)10(14)15/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyALPJLVAMPKURJD-UHFFFAOYSA-N
XLogP1.13
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429282
5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid
CID 104764730
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid
CID 102907539
2-chloro-N-(2-methoxy-2-methylpropyl)furan-3-carboxamide
CID 106687227
5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid
CID 103925702
2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide
CID 103708378
N-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide
CID 107034954
2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 103714343
5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65109429
methyl 5-(3-methoxy-3-methylbutanoyl)furan-2-carboxylate
CID 106946556

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid (CID 104764741) is 5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid is COC(C)(C)CNC(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid?
The InChIKey is ALPJLVAMPKURJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-11(2,16-3)6-12-9(13)7-4-5-8(17-7)10(14)15/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid?
5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 104764741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).