2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid

C13H19N3O4 — CID 114701353

IUPAC2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCc1ccncc1C
InChIInChI=1S/C13H19N3O4/c1-10-7-14-4-3-11(10)8-15-13(19)16(5-6-20-2)9-12(17)18/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyRSNGHOVMRPYHHH-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.63
Rot. Bonds7

About 2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid

2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid (PubChem CID 114701353) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid
PubChem CID114701353
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCc1ccncc1C
InChIInChI=1S/C13H19N3O4/c1-10-7-14-4-3-11(10)8-15-13(19)16(5-6-20-2)9-12(17)18/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyRSNGHOVMRPYHHH-UHFFFAOYSA-N
XLogP0.63
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 120516189
2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 115991082
2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
CID 79271168
4-[(3-methyl-4-pyridinyl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 114701344
2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid
CID 54969241
2-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxyacetic acid
CID 114701433
3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 52906852
2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid
CID 54978487
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
N-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
CID 114699568
2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid
CID 114263545
2-amino-3-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698208

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid (CID 114701353) is 2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)NCc1ccncc1C.
What is the InChIKey of 2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid?
The InChIKey is RSNGHOVMRPYHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-10-7-14-4-3-11(10)8-15-13(19)16(5-6-20-2)9-12(17)18/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid?
2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 114701353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).