2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid

C16H14N2O3 — CID 167164269

IUPAC2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid
SMILESO=C(O)CNC(c1cccnc1)c1cc2ccccc2o1
InChIInChI=1S/C16H14N2O3/c19-15(20)10-18-16(12-5-3-7-17-9-12)14-8-11-4-1-2-6-13(11)21-14/h1-9,16,18H,10H2,(H,19,20)
InChIKeyNQONPUCYHVFROL-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.59
Rot. Bonds5

About 2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid

2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid (PubChem CID 167164269) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid
PubChem CID167164269
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid
SMILESO=C(O)CNC(c1cccnc1)c1cc2ccccc2o1
InChIInChI=1S/C16H14N2O3/c19-15(20)10-18-16(12-5-3-7-17-9-12)14-8-11-4-1-2-6-13(11)21-14/h1-9,16,18H,10H2,(H,19,20)
InChIKeyNQONPUCYHVFROL-UHFFFAOYSA-N
XLogP2.59
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-azido-N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]acetamide
CID 167164159
N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 114727737
[7-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]-7-oxoheptyl] methanesulfonate
CID 167164306
N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide
CID 42925184
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608
tert-butyl N-[2-[3-[2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]-2-oxoethyl]phenyl]ethyl]carbamate
CID 167164427
tert-butyl N-[2-[2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]-2-oxoethoxy]ethyl]-N-methylcarbamate
CID 167163963
N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 47111565
N-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374532
(2S)-2-(1-benzofuran-2-yl)-1-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]propan-1-one
CID 99818316
2-oxo-N-(1-pyridin-3-ylethyl)chromene-3-carboxamide
CID 18163014
1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea
CID 134056773

Frequently Asked Questions

What is the IUPAC name of 2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid (CID 167164269) is 2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid is O=C(O)CNC(c1cccnc1)c1cc2ccccc2o1.
What is the InChIKey of 2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid?
The InChIKey is NQONPUCYHVFROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(20)10-18-16(12-5-3-7-17-9-12)14-8-11-4-1-2-6-13(11)21-14/h1-9,16,18H,10H2,(H,19,20).
What are the key properties of 2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid?
2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-benzofuran-2-yl(pyridin-3-yl)methyl]amino]acetic acid is sourced from PubChem (CID 167164269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).