2-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid

C10H13N3O3 — CID 136959156

IUPAC2-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H13N3O3/c14-9-4-8(11-6-12-9)13-2-1-7(5-13)3-10(15)16/h4,6-7H,1-3,5H2,(H,15,16)(H,11,12,14)
InChIKeyYCAOTPTXSCBJPG-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.07
Rot. Bonds3

About 2-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid

2-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid (PubChem CID 136959156) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid
PubChem CID136959156
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H13N3O3/c14-9-4-8(11-6-12-9)13-2-1-7(5-13)3-10(15)16/h4,6-7H,1-3,5H2,(H,15,16)(H,11,12,14)
InChIKeyYCAOTPTXSCBJPG-UHFFFAOYSA-N
XLogP0.07
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
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)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid (CID 136959156) is 2-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid is O=C(O)CC1CCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 2-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid?
The InChIKey is YCAOTPTXSCBJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9-4-8(11-6-12-9)13-2-1-7(5-13)3-10(15)16/h4,6-7H,1-3,5H2,(H,15,16)(H,11,12,14).
What are the key properties of 2-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid?
2-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 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)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 136959156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).