2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid

C14H17NO4 — CID 61013012

IUPAC2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H17NO4/c1-2-6-15(9-13(16)17)14(18)11-3-4-12-10(8-11)5-7-19-12/h3-4,8H,2,5-7,9H2,1H3,(H,16,17)
InChIKeyKJQQCFKFUFAREM-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.56
Rot. Bonds5

About 2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid

2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid (PubChem CID 61013012) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid
PubChem CID61013012
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H17NO4/c1-2-6-15(9-13(16)17)14(18)11-3-4-12-10(8-11)5-7-19-12/h3-4,8H,2,5-7,9H2,1H3,(H,16,17)
InChIKeyKJQQCFKFUFAREM-UHFFFAOYSA-N
XLogP1.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63395170
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 76936987
2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid
CID 120519574
2-[carboxymethyl(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]acetic acid
CID 63650376
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2-[(4-chloro-3-fluorobenzoyl)-propylamino]acetic acid
CID 106703257
N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63755933
N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63233821
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61453131
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79698342
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid?
The IUPAC name of 2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid (CID 61013012) is 2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid is CCCN(CC(=O)O)C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid?
The InChIKey is KJQQCFKFUFAREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-6-15(9-13(16)17)14(18)11-3-4-12-10(8-11)5-7-19-12/h3-4,8H,2,5-7,9H2,1H3,(H,16,17).
What are the key properties of 2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid?
2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid is sourced from PubChem (CID 61013012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).