2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid

C9H11N3O3 — CID 112704117

IUPAC2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ncccc1N
InChIInChI=1S/C9H11N3O3/c1-12(5-7(13)14)9(15)8-6(10)3-2-4-11-8/h2-4H,5,10H2,1H3,(H,13,14)
InChIKeyXBRRARPKFDPFAP-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.18
Rot. Bonds3

About 2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid

2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid (PubChem CID 112704117) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid
PubChem CID112704117
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ncccc1N
InChIInChI=1S/C9H11N3O3/c1-12(5-7(13)14)9(15)8-6(10)3-2-4-11-8/h2-4H,5,10H2,1H3,(H,13,14)
InChIKeyXBRRARPKFDPFAP-UHFFFAOYSA-N
XLogP-0.18
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-hydroxy-N-methylpyridine-2-carboxamide
CID 130884472
2-[methyl(1,6-naphthyridine-5-carbonyl)amino]acetic acid
CID 166372467
3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide
CID 104742495
2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid
CID 104741894
3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 104742327
3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 104741760
2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate
CID 159109262
3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106915192
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 113447596
3-amino-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741078
3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104741052
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 104742351

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid (CID 112704117) is 2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1ncccc1N.
What is the InChIKey of 2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid?
The InChIKey is XBRRARPKFDPFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-12(5-7(13)14)9(15)8-6(10)3-2-4-11-8/h2-4H,5,10H2,1H3,(H,13,14).
What are the key properties of 2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid?
2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid has a molecular weight of 209.21 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-aminopyridine-2-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 112704117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).