2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid

C14H15NO4 — CID 120975485

IUPAC2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C14H15NO4/c16-13(10-2-3-11(10)14(17)18)15-9-1-4-12-8(7-9)5-6-19-12/h1,4,7,10-11H,2-3,5-6H2,(H,15,16)(H,17,18)
InChIKeyPXDQOVBCJLJIMF-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.67
Rot. Bonds3

About 2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid

2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 120975485) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID120975485
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C14H15NO4/c16-13(10-2-3-11(10)14(17)18)15-9-1-4-12-8(7-9)5-6-19-12/h1,4,7,10-11H,2-3,5-6H2,(H,15,16)(H,17,18)
InChIKeyPXDQOVBCJLJIMF-UHFFFAOYSA-N
XLogP1.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide
CID 42951853
4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120673090
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388352
N-(2,3-dihydro-1-benzofuran-5-yl)oxolane-2-carboxamide
CID 42951848
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119728515
N-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide
CID 42951851
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 43810297
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610
(3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122075811
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid
CID 116918567
2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 107903969

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid (CID 120975485) is 2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)Nc1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is PXDQOVBCJLJIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-13(10-2-3-11(10)14(17)18)15-9-1-4-12-8(7-9)5-6-19-12/h1,4,7,10-11H,2-3,5-6H2,(H,15,16)(H,17,18).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid?
2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).