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

C10H13N3O4 — CID 136958790

IUPAC2-cyclopropyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCOc1c(NC(C(=O)O)C2CC2)nc[nH]c1=O
InChIInChI=1S/C10H13N3O4/c1-17-7-8(11-4-12-9(7)14)13-6(10(15)16)5-2-3-5/h4-6H,2-3H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyROGMTXWQHYJDBI-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.05
Rot. Bonds5

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

2-cyclopropyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958790) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958790
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-cyclopropyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCOc1c(NC(C(=O)O)C2CC2)nc[nH]c1=O
InChIInChI=1S/C10H13N3O4/c1-17-7-8(11-4-12-9(7)14)13-6(10(15)16)5-2-3-5/h4-6H,2-3H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyROGMTXWQHYJDBI-UHFFFAOYSA-N
XLogP0.05
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958790) is 2-cyclopropyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is COc1c(NC(C(=O)O)C2CC2)nc[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is ROGMTXWQHYJDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-17-7-8(11-4-12-9(7)14)13-6(10(15)16)5-2-3-5/h4-6H,2-3H2,1H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 2-cyclopropyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-cyclopropyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 239.23 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).