3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid

C19H20N2O4 — CID 120516834

IUPAC3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H20N2O4/c1-2-21(7-5-18(22)23)19(24)16-10-15(11-20-12-16)13-3-4-17-14(9-13)6-8-25-17/h3-4,9-12H,2,5-8H2,1H3,(H,22,23)
InChIKeyDVSFFAYVRFHGDM-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.62
Rot. Bonds6

About 3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid

3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid (PubChem CID 120516834) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid
PubChem CID120516834
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H20N2O4/c1-2-21(7-5-18(22)23)19(24)16-10-15(11-20-12-16)13-3-4-17-14(9-13)6-8-25-17/h3-4,9-12H,2,5-8H2,1H3,(H,22,23)
InChIKeyDVSFFAYVRFHGDM-UHFFFAOYSA-N
XLogP2.62
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid
CID 120525366
5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid
CID 54974551
3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524389
2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid
CID 120519337
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 76936987
N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63395170
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide
CID 109468197
5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
CID 167883086
2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid
CID 120527794
N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide
CID 109468089
1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122112738
2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid
CID 61013012

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid?
The IUPAC name of 3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid (CID 120516834) is 3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid.
What is the SMILES notation for 3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid?
The canonical SMILES for 3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1.
What is the InChIKey of 3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid?
The InChIKey is DVSFFAYVRFHGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-21(7-5-18(22)23)19(24)16-10-15(11-20-12-16)13-3-4-17-14(9-13)6-8-25-17/h3-4,9-12H,2,5-8H2,1H3,(H,22,23).
What are the key properties of 3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid?
3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid is sourced from PubChem (CID 120516834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).