2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid

C16H16N2O4 — CID 167954016

IUPAC2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)C(=O)C(O)c1cccnc1
InChIInChI=1S/C16H16N2O4/c19-14(20)11-18(10-12-5-2-1-3-6-12)16(22)15(21)13-7-4-8-17-9-13/h1-9,15,21H,10-11H2,(H,19,20)
InChIKeyKCXHZHCUYLWLMY-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.23
Rot. Bonds6

About 2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid

2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid (PubChem CID 167954016) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid
PubChem CID167954016
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)C(=O)C(O)c1cccnc1
InChIInChI=1S/C16H16N2O4/c19-14(20)11-18(10-12-5-2-1-3-6-12)16(22)15(21)13-7-4-8-17-9-13/h1-9,15,21H,10-11H2,(H,19,20)
InChIKeyKCXHZHCUYLWLMY-UHFFFAOYSA-N
XLogP1.23
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 120606600
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N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide
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(1R)-2-phenyl-1-pyridin-3-ylethanol
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N-benzyl-N-(2-hydroxyethyl)-2-pyridin-3-ylacetamide
CID 62689181
acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide
CID 67863072
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
CID 63645773
3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
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3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid?
The IUPAC name of 2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid (CID 167954016) is 2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid?
The canonical SMILES for 2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid is O=C(O)CN(Cc1ccccc1)C(=O)C(O)c1cccnc1.
What is the InChIKey of 2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid?
The InChIKey is KCXHZHCUYLWLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-14(20)11-18(10-12-5-2-1-3-6-12)16(22)15(21)13-7-4-8-17-9-13/h1-9,15,21H,10-11H2,(H,19,20).
What are the key properties of 2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid?
2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid has a molecular weight of 300.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid is sourced from PubChem (CID 167954016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).