2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate

C19H22N4O8 — CID 159109262

IUPAC2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate
SMILESCN(CC(=O)O)C(=O)c1ncccc1O.COC(=O)CN(C)C(=O)c1ncccc1O
InChIInChI=1S/C10H12N2O4.C9H10N2O4/c1-12(6-8(14)16-2)10(15)9-7(13)4-3-5-11-9;1-11(5-7(13)14)9(15)8-6(12)3-2-4-10-8/h3-5,13H,6H2,1-2H3;2-4,12H,5H2,1H3,(H,13,14)
InChIKeyKEGWYUVMDSEVEA-UHFFFAOYSA-N
MW434.41 g/mol
LogP-0.02
Rot. Bonds6

About 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate

2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate (PubChem CID 159109262) has the molecular formula C19H22N4O8 and a molecular weight of 434.41 g/mol. Its IUPAC name is 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Name2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate
PubChem CID159109262
Molecular FormulaC19H22N4O8
Molecular Weight434.41 g/mol
Exact Mass434.14
IUPAC Name2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate
SMILESCN(CC(=O)O)C(=O)c1ncccc1O.COC(=O)CN(C)C(=O)c1ncccc1O
InChIInChI=1S/C10H12N2O4.C9H10N2O4/c1-12(6-8(14)16-2)10(15)9-7(13)4-3-5-11-9;1-11(5-7(13)14)9(15)8-6(12)3-2-4-10-8/h3-5,13H,6H2,1-2H3;2-4,12H,5H2,1H3,(H,13,14)
InChIKeyKEGWYUVMDSEVEA-UHFFFAOYSA-N
XLogP-0.02
TPSA170.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614269
2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid
CID 112704117
methyl 2-[methyl(pyridine-2-carbonyl)amino]acetate
CID 43407333
2-[methyl(1,6-naphthyridine-5-carbonyl)amino]acetic acid
CID 166372467
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743126
2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 54893003
N-[3-(dimethylamino)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55228119
N-(2-ethoxyethyl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 81056077
3-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 61417620
methyl 2-[(3-bromopyridine-2-carbonyl)-ethylamino]acetate
CID 107518830
3-hydroxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 60923476
methyl 2-[methyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 43409840

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate?
The IUPAC name of 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate (CID 159109262) is 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate.
What is the SMILES notation for 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate?
The canonical SMILES for 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate is CN(CC(=O)O)C(=O)c1ncccc1O.COC(=O)CN(C)C(=O)c1ncccc1O.
What is the InChIKey of 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate?
The InChIKey is KEGWYUVMDSEVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4.C9H10N2O4/c1-12(6-8(14)16-2)10(15)9-7(13)4-3-5-11-9;1-11(5-7(13)14)9(15)8-6(12)3-2-4-10-8/h3-5,13H,6H2,1-2H3;2-4,12H,5H2,1H3,(H,13,14).
What are the key properties of 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate?
2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate has a molecular weight of 434.41 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate is sourced from PubChem (CID 159109262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).