2-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-(2-methoxyethyl)amino]acetic acid

C13H19N3O4 — CID 81050489

IUPAC2-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)c1cc(C)nc(C)c1C(N)=O
InChIInChI=1S/C13H19N3O4/c1-8-6-10(12(13(14)19)9(2)15-8)16(4-5-20-3)7-11(17)18/h6H,4-5,7H2,1-3H3,(H2,14,19)(H,17,18)
InChIKeyZEFSMIKOJKJPSD-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.33
Rot. Bonds7

About 2-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-(2-methoxyethyl)amino]acetic acid

2-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 81050489) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID81050489
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)c1cc(C)nc(C)c1C(N)=O
InChIInChI=1S/C13H19N3O4/c1-8-6-10(12(13(14)19)9(2)15-8)16(4-5-20-3)7-11(17)18/h6H,4-5,7H2,1-3H3,(H2,14,19)(H,17,18)
InChIKeyZEFSMIKOJKJPSD-UHFFFAOYSA-N
XLogP0.33
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid
CID 81050644
2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid
CID 54969050
2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid
CID 63118751
2-[(2-amino-2-oxoethyl)-(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)amino]acetamide
CID 81054071
2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid
CID 60839571
4-[azetidin-3-yl(methyl)amino]-2,6-dimethylpyridine-3-carboxamide
CID 81051800
4-[ethyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carboxamide
CID 81035524
methyl 2-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]acetate
CID 81054604
2-[5-chloro-N-(2-methoxyethyl)-2-methyl-4-nitroanilino]acetic acid
CID 115555395
4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81075122
2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid
CID 66280014
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid
CID 61012125

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-(2-methoxyethyl)amino]acetic acid (CID 81050489) is 2-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)c1cc(C)nc(C)c1C(N)=O.
What is the InChIKey of 2-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is ZEFSMIKOJKJPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8-6-10(12(13(14)19)9(2)15-8)16(4-5-20-3)7-11(17)18/h6H,4-5,7H2,1-3H3,(H2,14,19)(H,17,18).
What are the key properties of 2-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-(2-methoxyethyl)amino]acetic acid?
2-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 81050489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).