(2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide

C18H23N3O4 — CID 95275456

IUPAC(2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C18H23N3O4/c1-19-18(24)14-3-2-7-21(14)17(23)11-20-16(22)10-12-4-5-15-13(9-12)6-8-25-15/h4-5,9,14H,2-3,6-8,10-11H2,1H3,(H,19,24)(H,20,22)/t14-/m0/s1
InChIKeyAAZYYNBSKFKJHY-AWEZNQCLSA-N
MW345.40 g/mol
LogP0.02
Rot. Bonds5

About (2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide

(2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 95275456) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID95275456
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C18H23N3O4/c1-19-18(24)14-3-2-7-21(14)17(23)11-20-16(22)10-12-4-5-15-13(9-12)6-8-25-15/h4-5,9,14H,2-3,6-8,10-11H2,1H3,(H,19,24)(H,20,22)/t14-/m0/s1
InChIKeyAAZYYNBSKFKJHY-AWEZNQCLSA-N
XLogP0.02
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-[2-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 138042183
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide
CID 60568533
1-[2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 119051827
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
methyl 4-[[2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]benzoate
CID 95273963
N-methyl-1-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]acetyl]pyrrolidine-2-carboxamide
CID 56533854
2-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110771158
1-[2-[3-[(4-bromobenzoyl)amino]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56534137
1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544358
N-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 35591752
N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 119032269
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 110801124

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide (CID 95275456) is (2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Cc1ccc2c(c1)CCO2.
What is the InChIKey of (2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is AAZYYNBSKFKJHY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-19-18(24)14-3-2-7-21(14)17(23)11-20-16(22)10-12-4-5-15-13(9-12)6-8-25-15/h4-5,9,14H,2-3,6-8,10-11H2,1H3,(H,19,24)(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95275456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).