2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid

C11H15N3O4 — CID 79464321

IUPAC2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid
SMILESCN(C(=O)NCCOCC(=O)O)c1cccnc1
InChIInChI=1S/C11H15N3O4/c1-14(9-3-2-4-12-7-9)11(17)13-5-6-18-8-10(15)16/h2-4,7H,5-6,8H2,1H3,(H,13,17)(H,15,16)
InChIKeyMSVUWGLHUAMZPS-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.33
Rot. Bonds6

About 2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid

2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid (PubChem CID 79464321) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid
PubChem CID79464321
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid
SMILESCN(C(=O)NCCOCC(=O)O)c1cccnc1
InChIInChI=1S/C11H15N3O4/c1-14(9-3-2-4-12-7-9)11(17)13-5-6-18-8-10(15)16/h2-4,7H,5-6,8H2,1H3,(H,13,17)(H,15,16)
InChIKeyMSVUWGLHUAMZPS-UHFFFAOYSA-N
XLogP0.33
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.33
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)amino]ethoxy]acetic acid
CID 70416770
2-[2-[[(3-cyanophenyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463565
2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463348
2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid
CID 79457634
2-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]butanoic acid
CID 65226726
2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463147
[2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid
CID 174507293
2-(2-pyridin-3-ylethoxy)acetic acid
CID 83530002
3,3-dimethyl-4-[methyl(pyridin-3-yl)amino]-4-oxobutanoic acid
CID 115164800
2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid
CID 79457446
2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid
CID 79463656
2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463536

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid (CID 79464321) is 2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid is CN(C(=O)NCCOCC(=O)O)c1cccnc1.
What is the InChIKey of 2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid?
The InChIKey is MSVUWGLHUAMZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-14(9-3-2-4-12-7-9)11(17)13-5-6-18-8-10(15)16/h2-4,7H,5-6,8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid?
2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid has a molecular weight of 253.26 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79464321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).