2-[(6-ethoxypyrimidin-4-yl)-propylamino]acetic acid

C11H17N3O3 — CID 66317886

IUPAC2-[(6-ethoxypyrimidin-4-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1cc(OCC)ncn1
InChIInChI=1S/C11H17N3O3/c1-3-5-14(7-11(15)16)9-6-10(17-4-2)13-8-12-9/h6,8H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyGKBHQIFTCGVXJS-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.18
Rot. Bonds7

About 2-[(6-ethoxypyrimidin-4-yl)-propylamino]acetic acid

2-[(6-ethoxypyrimidin-4-yl)-propylamino]acetic acid (PubChem CID 66317886) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(6-ethoxypyrimidin-4-yl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-ethoxypyrimidin-4-yl)-propylamino]acetic acid
PubChem CID66317886
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[(6-ethoxypyrimidin-4-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1cc(OCC)ncn1
InChIInChI=1S/C11H17N3O3/c1-3-5-14(7-11(15)16)9-6-10(17-4-2)13-8-12-9/h6,8H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyGKBHQIFTCGVXJS-UHFFFAOYSA-N
XLogP1.18
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxypyrimidin-4-yl)-propylamino]acetic acid?
The IUPAC name of 2-[(6-ethoxypyrimidin-4-yl)-propylamino]acetic acid (CID 66317886) is 2-[(6-ethoxypyrimidin-4-yl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(6-ethoxypyrimidin-4-yl)-propylamino]acetic acid?
The canonical SMILES for 2-[(6-ethoxypyrimidin-4-yl)-propylamino]acetic acid is CCCN(CC(=O)O)c1cc(OCC)ncn1.
What is the InChIKey of 2-[(6-ethoxypyrimidin-4-yl)-propylamino]acetic acid?
The InChIKey is GKBHQIFTCGVXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-5-14(7-11(15)16)9-6-10(17-4-2)13-8-12-9/h6,8H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[(6-ethoxypyrimidin-4-yl)-propylamino]acetic acid?
2-[(6-ethoxypyrimidin-4-yl)-propylamino]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxypyrimidin-4-yl)-propylamino]acetic acid is sourced from PubChem (CID 66317886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).