2-[[2-(cyanomethyl)benzoyl]amino]acetic acid

C11H10N2O3 — CID 82179055

IUPAC2-[[2-(cyanomethyl)benzoyl]amino]acetic acid
SMILESN#CCc1ccccc1C(=O)NCC(=O)O
InChIInChI=1S/C11H10N2O3/c12-6-5-8-3-1-2-4-9(8)11(16)13-7-10(14)15/h1-4H,5,7H2,(H,13,16)(H,14,15)
InChIKeyWFMZBIQLDLYVDI-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.57
Rot. Bonds4

About 2-[[2-(cyanomethyl)benzoyl]amino]acetic acid

2-[[2-(cyanomethyl)benzoyl]amino]acetic acid (PubChem CID 82179055) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-[[2-(cyanomethyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(cyanomethyl)benzoyl]amino]acetic acid
PubChem CID82179055
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-[[2-(cyanomethyl)benzoyl]amino]acetic acid
SMILESN#CCc1ccccc1C(=O)NCC(=O)O
InChIInChI=1S/C11H10N2O3/c12-6-5-8-3-1-2-4-9(8)11(16)13-7-10(14)15/h1-4H,5,7H2,(H,13,16)(H,14,15)
InChIKeyWFMZBIQLDLYVDI-UHFFFAOYSA-N
XLogP0.57
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(aminomethyl)benzoyl]amino]acetic acid
CID 57129733
2-[[2-(cyanomethyl)benzoyl]-methylamino]acetic acid
CID 82179366
2-[[2-(azepan-1-ylmethyl)benzoyl]amino]acetic acid
CID 92922585
2-[(2-hydroxy-3-iodobenzoyl)amino]acetic acid
CID 163099748
2-(cyanomethyl)-N-(3-fluorophenyl)benzamide
CID 82179597
2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid
CID 134594660
2-(cyanomethyl)-N-[4-(diethylamino)phenyl]benzamide
CID 94806407
[2-(carboxymethylcarbamoyl)phenyl]-chloromercury
CID 19844498
N-(2-cyanoethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425664
2-[[2-(3-hydroxyprop-1-ynyl)benzoyl]amino]acetic acid
CID 169485909
2-ethyl-N-(2-oxopropyl)benzamide
CID 22084530
2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid
CID 10686637

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyanomethyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[2-(cyanomethyl)benzoyl]amino]acetic acid (CID 82179055) is 2-[[2-(cyanomethyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(cyanomethyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(cyanomethyl)benzoyl]amino]acetic acid is N#CCc1ccccc1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(cyanomethyl)benzoyl]amino]acetic acid?
The InChIKey is WFMZBIQLDLYVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c12-6-5-8-3-1-2-4-9(8)11(16)13-7-10(14)15/h1-4H,5,7H2,(H,13,16)(H,14,15).
What are the key properties of 2-[[2-(cyanomethyl)benzoyl]amino]acetic acid?
2-[[2-(cyanomethyl)benzoyl]amino]acetic acid has a molecular weight of 218.21 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyanomethyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 82179055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).