2-(3-cyclopentyl-2-oxopyrimidin-4-yl)acetic acid

C11H14N2O3 — CID 83852410

IUPAC2-(3-cyclopentyl-2-oxopyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1ccnc(=O)n1C1CCCC1
InChIInChI=1S/C11H14N2O3/c14-10(15)7-9-5-6-12-11(16)13(9)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,14,15)
InChIKeyVBKSPZOUJUIXSF-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.99
Rot. Bonds3

About 2-(3-cyclopentyl-2-oxopyrimidin-4-yl)acetic acid

2-(3-cyclopentyl-2-oxopyrimidin-4-yl)acetic acid (PubChem CID 83852410) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(3-cyclopentyl-2-oxopyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopentyl-2-oxopyrimidin-4-yl)acetic acid
PubChem CID83852410
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(3-cyclopentyl-2-oxopyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1ccnc(=O)n1C1CCCC1
InChIInChI=1S/C11H14N2O3/c14-10(15)7-9-5-6-12-11(16)13(9)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,14,15)
InChIKeyVBKSPZOUJUIXSF-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Methyl-2-oxopyrimidin-4-yl)acetic acid
CID 83851811
2-(3-Ethyl-2-oxopyrimidin-4-yl)acetic acid
CID 83851903
2-(3-Cyclopropyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852012
2-(2-Oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852047
2-(3-Cyclobutyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852184
2-[3-(2-Methylpropyl)-2-oxopyrimidin-4-yl]acetic acid
CID 83852234
2-(6-Chloro-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852567
2-(3-Cyclohexyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852625
2-(6-Chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852723

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-2-oxopyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(3-cyclopentyl-2-oxopyrimidin-4-yl)acetic acid (CID 83852410) is 2-(3-cyclopentyl-2-oxopyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclopentyl-2-oxopyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(3-cyclopentyl-2-oxopyrimidin-4-yl)acetic acid is O=C(O)Cc1ccnc(=O)n1C1CCCC1.
What is the InChIKey of 2-(3-cyclopentyl-2-oxopyrimidin-4-yl)acetic acid?
The InChIKey is VBKSPZOUJUIXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10(15)7-9-5-6-12-11(16)13(9)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,14,15).
What are the key properties of 2-(3-cyclopentyl-2-oxopyrimidin-4-yl)acetic acid?
2-(3-cyclopentyl-2-oxopyrimidin-4-yl)acetic acid has a molecular weight of 222.24 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-2-oxopyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).