5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid

C15H21NO5 — CID 124687382

IUPAC5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid
SMILESCO[C@]1(C)C[C@H](N(C)C(=O)c2ccc(C(=O)O)o2)C1(C)C
InChIInChI=1S/C15H21NO5/c1-14(2)11(8-15(14,3)20-5)16(4)12(17)9-6-7-10(21-9)13(18)19/h6-7,11H,8H2,1-5H3,(H,18,19)/t11-,15+/m0/s1
InChIKeyJVQJXLKTSUDUSG-XHDPSFHLSA-N
MW295.34 g/mol
LogP2.25
Rot. Bonds4

About 5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid

5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid (PubChem CID 124687382) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid
PubChem CID124687382
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid
SMILESCO[C@]1(C)C[C@H](N(C)C(=O)c2ccc(C(=O)O)o2)C1(C)C
InChIInChI=1S/C15H21NO5/c1-14(2)11(8-15(14,3)20-5)16(4)12(17)9-6-7-10(21-9)13(18)19/h6-7,11H,8H2,1-5H3,(H,18,19)/t11-,15+/m0/s1
InChIKeyJVQJXLKTSUDUSG-XHDPSFHLSA-N
XLogP2.25
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid with MolForge

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Related Compounds

4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide
CID 124685693
3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 166225120
N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 96569221
4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-nitrobenzamide
CID 102561315
3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid
CID 119151975
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea
CID 96520297
4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride
CID 119342989
furan-2,5-dicarboxylic acid;indigane
CID 174700126
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide
CID 122144559
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940408

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid (CID 124687382) is 5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid is CO[C@]1(C)C[C@H](N(C)C(=O)c2ccc(C(=O)O)o2)C1(C)C.
What is the InChIKey of 5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid?
The InChIKey is JVQJXLKTSUDUSG-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H21NO5/c1-14(2)11(8-15(14,3)20-5)16(4)12(17)9-6-7-10(21-9)13(18)19/h6-7,11H,8H2,1-5H3,(H,18,19)/t11-,15+/m0/s1.
What are the key properties of 5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid?
5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylcarbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 124687382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).