5-(2-methoxycarbonylazetidin-1-yl)furan-2-carboxylic acid

C10H11NO5 — CID 165490320

IUPAC5-(2-methoxycarbonylazetidin-1-yl)furan-2-carboxylic acid
SMILESCOC(=O)C1CCN1c1ccc(C(=O)O)o1
InChIInChI=1S/C10H11NO5/c1-15-10(14)6-4-5-11(6)8-3-2-7(16-8)9(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyVQTRYFLDGOIRBG-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.73
Rot. Bonds3

About 5-(2-methoxycarbonylazetidin-1-yl)furan-2-carboxylic acid

5-(2-methoxycarbonylazetidin-1-yl)furan-2-carboxylic acid (PubChem CID 165490320) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-(2-methoxycarbonylazetidin-1-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxycarbonylazetidin-1-yl)furan-2-carboxylic acid
PubChem CID165490320
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name5-(2-methoxycarbonylazetidin-1-yl)furan-2-carboxylic acid
SMILESCOC(=O)C1CCN1c1ccc(C(=O)O)o1
InChIInChI=1S/C10H11NO5/c1-15-10(14)6-4-5-11(6)8-3-2-7(16-8)9(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyVQTRYFLDGOIRBG-UHFFFAOYSA-N
XLogP0.73
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-benzylphenyl)azetidine-2-carboxylate
CID 115937751
methyl 1-(1,3-benzodioxol-5-yl)azetidine-2-carboxylate
CID 112581145
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
methyl 1-(3,4-dichlorophenyl)azetidine-2-carboxylate
CID 112581074
methyl 1-(2,4,5-trichlorophenyl)azetidine-2-carboxylate
CID 112581117
methyl 1-(3-bromo-4-methylphenyl)azetidine-2-carboxylate
CID 112581474
methyl 1-(2,6-dichloro-3-methylphenyl)azetidine-2-carboxylate
CID 112581128
methyl 1-(2-phenylethyl)azetidine-2-carboxylate
CID 4196688
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
methyl 1-methoxyazetidine-2-carboxylate
CID 559283
methyl 1-(3-acetamidophenyl)azetidine-2-carboxylate
CID 112581140

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxycarbonylazetidin-1-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-methoxycarbonylazetidin-1-yl)furan-2-carboxylic acid (CID 165490320) is 5-(2-methoxycarbonylazetidin-1-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxycarbonylazetidin-1-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxycarbonylazetidin-1-yl)furan-2-carboxylic acid is COC(=O)C1CCN1c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-methoxycarbonylazetidin-1-yl)furan-2-carboxylic acid?
The InChIKey is VQTRYFLDGOIRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-15-10(14)6-4-5-11(6)8-3-2-7(16-8)9(12)13/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 5-(2-methoxycarbonylazetidin-1-yl)furan-2-carboxylic acid?
5-(2-methoxycarbonylazetidin-1-yl)furan-2-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxycarbonylazetidin-1-yl)furan-2-carboxylic acid is sourced from PubChem (CID 165490320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).