2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid

C10H15N3O3 — CID 65067306

IUPAC2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1ccncn1
InChIInChI=1S/C10H15N3O3/c1-16-5-4-13(7-10(14)15)6-9-2-3-11-8-12-9/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKeyCUSPNFVVEHFAGI-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.01
Rot. Bonds7

About 2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid

2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid (PubChem CID 65067306) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid
PubChem CID65067306
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1ccncn1
InChIInChI=1S/C10H15N3O3/c1-16-5-4-13(7-10(14)15)6-9-2-3-11-8-12-9/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKeyCUSPNFVVEHFAGI-UHFFFAOYSA-N
XLogP0.01
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 54969150
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39379496
2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39366056
2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid
CID 91837165
2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid
CID 64783644
3-[tert-butyl(pyrimidin-4-ylmethyl)amino]propanoic acid
CID 65058475
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid
CID 65067251
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 65067154
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39382765

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid (CID 65067306) is 2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid is COCCN(CC(=O)O)Cc1ccncn1.
What is the InChIKey of 2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid?
The InChIKey is CUSPNFVVEHFAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-16-5-4-13(7-10(14)15)6-9-2-3-11-8-12-9/h2-3,8H,4-7H2,1H3,(H,14,15).
What are the key properties of 2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid?
2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid is sourced from PubChem (CID 65067306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).