2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid

C12H12N2O4 — CID 79280456

IUPAC2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)c1cccnc1OC
InChIInChI=1S/C12H12N2O4/c1-3-7-14(8-10(15)16)12(17)9-5-4-6-13-11(9)18-2/h1,4-6H,7-8H2,2H3,(H,15,16)
InChIKeyDAADEVUPCYZMEZ-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.25
Rot. Bonds5

About 2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid

2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid (PubChem CID 79280456) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid
PubChem CID79280456
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)c1cccnc1OC
InChIInChI=1S/C12H12N2O4/c1-3-7-14(8-10(15)16)12(17)9-5-4-6-13-11(9)18-2/h1,4-6H,7-8H2,2H3,(H,15,16)
InChIKeyDAADEVUPCYZMEZ-UHFFFAOYSA-N
XLogP0.25
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63072391
2-[(2,3-dimethoxybenzoyl)-prop-2-ynylamino]acetic acid
CID 79277898
2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid
CID 54925733
2-[(2,4-dimethoxybenzoyl)-prop-2-ynylamino]acetic acid
CID 79279574
N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62875482
2-[(2,6-dimethylpyridine-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 79279582
N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide
CID 63390573
2-[ethyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
CID 120519705
2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754874
2-[(2,5-dimethylbenzoyl)-prop-2-ynylamino]acetic acid
CID 79280095
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methoxypyridine-3-carboxamide
CID 107483009
N-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide
CID 134003290

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid (CID 79280456) is 2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)C(=O)c1cccnc1OC.
What is the InChIKey of 2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid?
The InChIKey is DAADEVUPCYZMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-3-7-14(8-10(15)16)12(17)9-5-4-6-13-11(9)18-2/h1,4-6H,7-8H2,2H3,(H,15,16).
What are the key properties of 2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid?
2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid has a molecular weight of 248.24 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 79280456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).