2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid

C10H13N3O4 — CID 136958530

IUPAC2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCOc1c(N(CC(=O)O)C2CC2)nc[nH]c1=O
InChIInChI=1S/C10H13N3O4/c1-17-8-9(11-5-12-10(8)16)13(4-7(14)15)6-2-3-6/h5-6H,2-4H2,1H3,(H,14,15)(H,11,12,16)
InChIKeyLJMYJJLSTJNUJD-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.17
Rot. Bonds5

About 2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid

2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958530) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958530
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCOc1c(N(CC(=O)O)C2CC2)nc[nH]c1=O
InChIInChI=1S/C10H13N3O4/c1-17-8-9(11-5-12-10(8)16)13(4-7(14)15)6-2-3-6/h5-6H,2-4H2,1H3,(H,14,15)(H,11,12,16)
InChIKeyLJMYJJLSTJNUJD-UHFFFAOYSA-N
XLogP-0.17
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958530) is 2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is COc1c(N(CC(=O)O)C2CC2)nc[nH]c1=O.
What is the InChIKey of 2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is LJMYJJLSTJNUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-17-8-9(11-5-12-10(8)16)13(4-7(14)15)6-2-3-6/h5-6H,2-4H2,1H3,(H,14,15)(H,11,12,16).
What are the key properties of 2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 239.23 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).