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

C9H11N3O3 — CID 137262435

IUPAC2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopropyl]acetic acid
SMILESO=C(O)CC1(Nc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C9H11N3O3/c13-7-3-6(10-5-11-7)12-9(1-2-9)4-8(14)15/h3,5H,1-2,4H2,(H,14,15)(H2,10,11,12,13)
InChIKeyRCWNVIWASWFXRK-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.19
Rot. Bonds4

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

2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopropyl]acetic acid (PubChem CID 137262435) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopropyl]acetic acid
PubChem CID137262435
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopropyl]acetic acid
SMILESO=C(O)CC1(Nc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C9H11N3O3/c13-7-3-6(10-5-11-7)12-9(1-2-9)4-8(14)15/h3,5H,1-2,4H2,(H,14,15)(H2,10,11,12,13)
InChIKeyRCWNVIWASWFXRK-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopropyl]acetic acid (CID 137262435) is 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopropyl]acetic acid is O=C(O)CC1(Nc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopropyl]acetic acid?
The InChIKey is RCWNVIWASWFXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-7-3-6(10-5-11-7)12-9(1-2-9)4-8(14)15/h3,5H,1-2,4H2,(H,14,15)(H2,10,11,12,13).
What are the key properties of 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopropyl]acetic acid?
2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopropyl]acetic acid has a molecular weight of 209.20 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopropyl]acetic acid is sourced from PubChem (CID 137262435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).