2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid

C9H9N3O2 — CID 64587752

IUPAC2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cccc(C#N)n1
InChIInChI=1S/C9H9N3O2/c1-12(6-9(13)14)8-4-2-3-7(5-10)11-8/h2-4H,6H2,1H3,(H,13,14)
InChIKeySJWGOMNECHQYMJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.47
Rot. Bonds3

About 2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid

2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid (PubChem CID 64587752) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid
PubChem CID64587752
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cccc(C#N)n1
InChIInChI=1S/C9H9N3O2/c1-12(6-9(13)14)8-4-2-3-7(5-10)11-8/h2-4H,6H2,1H3,(H,13,14)
InChIKeySJWGOMNECHQYMJ-UHFFFAOYSA-N
XLogP0.47
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-cyano-2-pyridinyl)-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 133334372
4-[[(6-cyano-2-pyridinyl)-methylamino]methyl]benzoic acid
CID 64589145
tert-butyl N-[2-[(6-cyano-2-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
CID 86814417
3-[(6-cyano-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 113248913
6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile
CID 115319464
3-[(6-cyano-2-pyridinyl)-propan-2-ylamino]propanoic acid
CID 64588348
4-[(6-cyano-2-pyridinyl)-methylamino]benzoic acid
CID 113442768
6-[amino(methyl)amino]pyridine-2-carbonitrile
CID 53404430
6-[(3-amino-2,2-dimethylpropyl)-methylamino]pyridine-2-carbonitrile
CID 79651991
6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile
CID 115868730
6-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyridine-2-carbonitrile
CID 131908374
2-[methyl(pyridin-2-yl)amino]acetic acid;hydrochloride
CID 71627035

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid?
The IUPAC name of 2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid (CID 64587752) is 2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid is CN(CC(=O)O)c1cccc(C#N)n1.
What is the InChIKey of 2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid?
The InChIKey is SJWGOMNECHQYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-12(6-9(13)14)8-4-2-3-7(5-10)11-8/h2-4H,6H2,1H3,(H,13,14).
What are the key properties of 2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid?
2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid has a molecular weight of 191.19 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid is sourced from PubChem (CID 64587752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).