1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C15H16FNO4 — CID 75383475

IUPAC1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H16FNO4/c16-10-3-4-11-9(7-10)8-12(21-11)13(18)17-15(14(19)20)5-1-2-6-15/h3-4,7,12H,1-2,5-6,8H2,(H,17,18)(H,19,20)
InChIKeySAIKCVSDMRNWOB-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.64
Rot. Bonds3

About 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 75383475) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID75383475
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H16FNO4/c16-10-3-4-11-9(7-10)8-12(21-11)13(18)17-15(14(19)20)5-1-2-6-15/h3-4,7,12H,1-2,5-6,8H2,(H,17,18)(H,19,20)
InChIKeySAIKCVSDMRNWOB-UHFFFAOYSA-N
XLogP1.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 75383475) is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)C1Cc2cc(F)ccc2O1.
What is the InChIKey of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is SAIKCVSDMRNWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c16-10-3-4-11-9(7-10)8-12(21-11)13(18)17-15(14(19)20)5-1-2-6-15/h3-4,7,12H,1-2,5-6,8H2,(H,17,18)(H,19,20).
What are the key properties of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 293.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 75383475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).