2-[(3-amino-4-pyridinyl)-methylamino]acetic acid

C8H11N3O2 — CID 62253485

IUPAC2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1ccncc1N
InChIInChI=1S/C8H11N3O2/c1-11(5-8(12)13)7-2-3-10-4-6(7)9/h2-4H,5,9H2,1H3,(H,12,13)
InChIKeyVYITVSFDBWYEMY-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.18
Rot. Bonds3

About 2-[(3-amino-4-pyridinyl)-methylamino]acetic acid

2-[(3-amino-4-pyridinyl)-methylamino]acetic acid (PubChem CID 62253485) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
PubChem CID62253485
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1ccncc1N
InChIInChI=1S/C8H11N3O2/c1-11(5-8(12)13)7-2-3-10-4-6(7)9/h2-4H,5,9H2,1H3,(H,12,13)
InChIKeyVYITVSFDBWYEMY-UHFFFAOYSA-N
XLogP0.18
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide
CID 61357286
2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide
CID 54957334
2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide
CID 61360203
2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide
CID 62575287
1-(3-amino-4-pyridinyl)-1-methylurea
CID 61357275
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946
2-[(3-amino-4-pyridinyl)-methylamino]-N-(2-methoxyphenyl)acetamide
CID 61357480
2-[(3-amino-4-pyridinyl)-ethylamino]acetamide
CID 103101114
4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol
CID 79356009
3-amino-4-[methyl(sulfamoyl)amino]pyridine
CID 114958702
4-N-(2-methoxyethyl)-4-N-methylpyridine-3,4-diamine
CID 61360000
4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine
CID 61359414

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)-methylamino]acetic acid?
The IUPAC name of 2-[(3-amino-4-pyridinyl)-methylamino]acetic acid (CID 62253485) is 2-[(3-amino-4-pyridinyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)-methylamino]acetic acid is CN(CC(=O)O)c1ccncc1N.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)-methylamino]acetic acid?
The InChIKey is VYITVSFDBWYEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11(5-8(12)13)7-2-3-10-4-6(7)9/h2-4H,5,9H2,1H3,(H,12,13).
What are the key properties of 2-[(3-amino-4-pyridinyl)-methylamino]acetic acid?
2-[(3-amino-4-pyridinyl)-methylamino]acetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)-methylamino]acetic acid is sourced from PubChem (CID 62253485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).