cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid

C15H15NO4 — CID 97318321

IUPACcis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cc2ccccc2o1
InChIInChI=1S/C15H15NO4/c17-14(16-11-6-5-10(7-11)15(18)19)13-8-9-3-1-2-4-12(9)20-13/h1-4,8,10-11H,5-7H2,(H,16,17)(H,18,19)/t10-,11+/m1/s1
InChIKeyUSXUNMJLZZJKMT-MNOVXSKESA-N
MW273.29 g/mol
LogP2.42
Rot. Bonds3

About cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 97318321) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID97318321
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namecis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cc2ccccc2o1
InChIInChI=1S/C15H15NO4/c17-14(16-11-6-5-10(7-11)15(18)19)13-8-9-3-1-2-4-12(9)20-13/h1-4,8,10-11H,5-7H2,(H,16,17)(H,18,19)/t10-,11+/m1/s1
InChIKeyUSXUNMJLZZJKMT-MNOVXSKESA-N
XLogP2.42
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1-benzofuran-2-carboxamide
CID 43603784
N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
CID 171722189
N-(2-aminocyclohexyl)-1-benzofuran-2-carboxamide
CID 61037356
N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 93216054
N-(2-hydroxycyclohexyl)-1-benzofuran-2-carboxamide
CID 55064168
N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-benzofuran-2-carboxamide
CID 154823074
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 7255005
N-(2-fluorocyclopentyl)-1-benzofuran-2-carboxamide
CID 126857780
N-[2-(aminomethyl)cyclopentyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119600706
ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate
CID 31843225
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
N-[2-(cyclopentylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 17442222

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid (CID 97318321) is cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cc2ccccc2o1.
What is the InChIKey of cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is USXUNMJLZZJKMT-MNOVXSKESA-N. The full InChI is InChI=1S/C15H15NO4/c17-14(16-11-6-5-10(7-11)15(18)19)13-8-9-3-1-2-4-12(9)20-13/h1-4,8,10-11H,5-7H2,(H,16,17)(H,18,19)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 97318321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).