3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid

C15H17NO4 — CID 66032698

IUPAC3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2Cc3ccccc3O2)C1
InChIInChI=1S/C15H17NO4/c17-14(16-11-6-5-10(7-11)15(18)19)13-8-9-3-1-2-4-12(9)20-13/h1-4,10-11,13H,5-8H2,(H,16,17)(H,18,19)
InChIKeyMCSVXNUCBOOSKW-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.36
Rot. Bonds3

About 3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid

3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 66032698) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID66032698
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2Cc3ccccc3O2)C1
InChIInChI=1S/C15H17NO4/c17-14(16-11-6-5-10(7-11)15(18)19)13-8-9-3-1-2-4-12(9)20-13/h1-4,10-11,13H,5-8H2,(H,16,17)(H,18,19)
InChIKeyMCSVXNUCBOOSKW-UHFFFAOYSA-N
XLogP1.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030337
cis-(1S,3R)-3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 120676420
3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66033099
(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273
N-(5-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107585077
3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 77110035
(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9091701
N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106365967
tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate
CID 94812936
cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 120679080
N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42886348
N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 120553307

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid (CID 66032698) is 3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)C2Cc3ccccc3O2)C1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is MCSVXNUCBOOSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-14(16-11-6-5-10(7-11)15(18)19)13-8-9-3-1-2-4-12(9)20-13/h1-4,10-11,13H,5-8H2,(H,16,17)(H,18,19).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid?
3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).