cis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C17H19NO5 — CID 120677153

IUPACcis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc2c(CC(=O)N[C@@H]3CC[C@H](C(=O)O)C3)coc2c1
InChIInChI=1S/C17H19NO5/c1-22-13-4-5-14-11(9-23-15(14)8-13)7-16(19)18-12-3-2-10(6-12)17(20)21/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,19)(H,20,21)/t10-,12+/m0/s1
InChIKeyFJCAFDHLIPFZHL-CMPLNLGQSA-N
MW317.34 g/mol
LogP2.35
Rot. Bonds5

About cis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120677153) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120677153
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Namecis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc2c(CC(=O)N[C@@H]3CC[C@H](C(=O)O)C3)coc2c1
InChIInChI=1S/C17H19NO5/c1-22-13-4-5-14-11(9-23-15(14)8-13)7-16(19)18-12-3-2-10(6-12)17(20)21/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,19)(H,20,21)/t10-,12+/m0/s1
InChIKeyFJCAFDHLIPFZHL-CMPLNLGQSA-N
XLogP2.35
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2477196
N-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119476883
2-(6-methoxy-1-benzofuran-3-yl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452018
2-(6-methoxy-1-benzofuran-3-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 78809882
cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678697
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
N-(2-amino-1-cyclohexylethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 119590691
2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide
CID 126766814
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119107505
2-(6-methoxy-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95138605
(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 92542869

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120677153) is cis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid is COc1ccc2c(CC(=O)N[C@@H]3CC[C@H](C(=O)O)C3)coc2c1.
What is the InChIKey of cis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is FJCAFDHLIPFZHL-CMPLNLGQSA-N. The full InChI is InChI=1S/C17H19NO5/c1-22-13-4-5-14-11(9-23-15(14)8-13)7-16(19)18-12-3-2-10(6-12)17(20)21/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,19)(H,20,21)/t10-,12+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 317.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).