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

C7H9N3O4 — CID 136958448

IUPAC2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCOc1c(NCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C7H9N3O4/c1-14-5-6(8-2-4(11)12)9-3-10-7(5)13/h3H,2H2,1H3,(H,11,12)(H2,8,9,10,13)
InChIKeySSRKKUSVHXZSQD-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.73
Rot. Bonds4

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

2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958448) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958448
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCOc1c(NCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C7H9N3O4/c1-14-5-6(8-2-4(11)12)9-3-10-7(5)13/h3H,2H2,1H3,(H,11,12)(H2,8,9,10,13)
InChIKeySSRKKUSVHXZSQD-UHFFFAOYSA-N
XLogP-0.73
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958448) is 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is COc1c(NCC(=O)O)nc[nH]c1=O.
What is the InChIKey of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is SSRKKUSVHXZSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-14-5-6(8-2-4(11)12)9-3-10-7(5)13/h3H,2H2,1H3,(H,11,12)(H2,8,9,10,13).
What are the key properties of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 199.17 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).