2-[(5-methoxypyrimidin-4-yl)-propan-2-ylamino]acetic acid

C10H15N3O3 — CID 83839623

IUPAC2-[(5-methoxypyrimidin-4-yl)-propan-2-ylamino]acetic acid
SMILESCOc1cncnc1N(CC(=O)O)C(C)C
InChIInChI=1S/C10H15N3O3/c1-7(2)13(5-9(14)15)10-8(16-3)4-11-6-12-10/h4,6-7H,5H2,1-3H3,(H,14,15)
InChIKeyKRXCUYKHTRETGM-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.78
Rot. Bonds5

About 2-[(5-methoxypyrimidin-4-yl)-propan-2-ylamino]acetic acid

2-[(5-methoxypyrimidin-4-yl)-propan-2-ylamino]acetic acid (PubChem CID 83839623) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(5-methoxypyrimidin-4-yl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-methoxypyrimidin-4-yl)-propan-2-ylamino]acetic acid
PubChem CID83839623
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(5-methoxypyrimidin-4-yl)-propan-2-ylamino]acetic acid
SMILESCOc1cncnc1N(CC(=O)O)C(C)C
InChIInChI=1S/C10H15N3O3/c1-7(2)13(5-9(14)15)10-8(16-3)4-11-6-12-10/h4,6-7H,5H2,1-3H3,(H,14,15)
InChIKeyKRXCUYKHTRETGM-UHFFFAOYSA-N
XLogP0.78
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxypyrimidin-4-yl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(5-methoxypyrimidin-4-yl)-propan-2-ylamino]acetic acid (CID 83839623) is 2-[(5-methoxypyrimidin-4-yl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(5-methoxypyrimidin-4-yl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(5-methoxypyrimidin-4-yl)-propan-2-ylamino]acetic acid is COc1cncnc1N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(5-methoxypyrimidin-4-yl)-propan-2-ylamino]acetic acid?
The InChIKey is KRXCUYKHTRETGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(2)13(5-9(14)15)10-8(16-3)4-11-6-12-10/h4,6-7H,5H2,1-3H3,(H,14,15).
What are the key properties of 2-[(5-methoxypyrimidin-4-yl)-propan-2-ylamino]acetic acid?
2-[(5-methoxypyrimidin-4-yl)-propan-2-ylamino]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxypyrimidin-4-yl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 83839623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).