2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid

C12H17N3O4 — CID 79463348

IUPAC2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid
SMILESCN(Cc1ccncc1)C(=O)NCCOCC(=O)O
InChIInChI=1S/C12H17N3O4/c1-15(8-10-2-4-13-5-3-10)12(18)14-6-7-19-9-11(16)17/h2-5H,6-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyTZRNFZJGHJMISO-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.32
Rot. Bonds7

About 2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid

2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid (PubChem CID 79463348) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid
PubChem CID79463348
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid
SMILESCN(Cc1ccncc1)C(=O)NCCOCC(=O)O
InChIInChI=1S/C12H17N3O4/c1-15(8-10-2-4-13-5-3-10)12(18)14-6-7-19-9-11(16)17/h2-5H,6-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyTZRNFZJGHJMISO-UHFFFAOYSA-N
XLogP0.32
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid
CID 79464321
2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid
CID 79464389
2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463147
2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid
CID 79469254
2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 79473191
2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 61266937
2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61201915
2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61327143
2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid
CID 43135912
2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464032
1-benzyl-3-(3-methoxypropyl)-1-methylurea
CID 108988118
2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463361

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid (CID 79463348) is 2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid is CN(Cc1ccncc1)C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid?
The InChIKey is TZRNFZJGHJMISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-15(8-10-2-4-13-5-3-10)12(18)14-6-7-19-9-11(16)17/h2-5H,6-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid?
2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid has a molecular weight of 267.29 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79463348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).