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

C9H11N3O3 — CID 136958786

IUPAC2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)C(Nc1cc(=O)[nH]cn1)C1CC1
InChIInChI=1S/C9H11N3O3/c13-7-3-6(10-4-11-7)12-8(9(14)15)5-1-2-5/h3-5,8H,1-2H2,(H,14,15)(H2,10,11,12,13)
InChIKeyFELNFCYZXCHSGV-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.05
Rot. Bonds4

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

2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958786) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958786
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)C(Nc1cc(=O)[nH]cn1)C1CC1
InChIInChI=1S/C9H11N3O3/c13-7-3-6(10-4-11-7)12-8(9(14)15)5-1-2-5/h3-5,8H,1-2H2,(H,14,15)(H2,10,11,12,13)
InChIKeyFELNFCYZXCHSGV-UHFFFAOYSA-N
XLogP0.05
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958786) is 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is O=C(O)C(Nc1cc(=O)[nH]cn1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is FELNFCYZXCHSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-7-3-6(10-4-11-7)12-8(9(14)15)5-1-2-5/h3-5,8H,1-2H2,(H,14,15)(H2,10,11,12,13).
What are the key properties of 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 209.20 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).