2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid

C8H11N3O3 — CID 112635975

IUPAC2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
SMILESCCOc1ccnc(NCC(=O)O)n1
InChIInChI=1S/C8H11N3O3/c1-2-14-6-3-4-9-8(11-6)10-5-7(12)13/h3-4H,2,5H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyWGQVVPIXXOPMJZ-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.37
Rot. Bonds5

About 2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid

2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid (PubChem CID 112635975) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
PubChem CID112635975
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
SMILESCCOc1ccnc(NCC(=O)O)n1
InChIInChI=1S/C8H11N3O3/c1-2-14-6-3-4-9-8(11-6)10-5-7(12)13/h3-4H,2,5H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyWGQVVPIXXOPMJZ-UHFFFAOYSA-N
XLogP0.37
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid (CID 112635975) is 2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid is CCOc1ccnc(NCC(=O)O)n1.
What is the InChIKey of 2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid?
The InChIKey is WGQVVPIXXOPMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-14-6-3-4-9-8(11-6)10-5-7(12)13/h3-4H,2,5H2,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid?
2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid has a molecular weight of 197.19 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 112635975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).