2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid

C12H15N3O5 — CID 61369877

IUPAC2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H15N3O5/c16-9-4-7(13-12(20)14-9)5-10(17)15-3-1-2-8(15)6-11(18)19/h4,8H,1-3,5-6H2,(H,18,19)(H2,13,14,16,20)
InChIKeyYHKGWMFLGDRMOG-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.93
Rot. Bonds4

About 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61369877) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid
PubChem CID61369877
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H15N3O5/c16-9-4-7(13-12(20)14-9)5-10(17)15-3-1-2-8(15)6-11(18)19/h4,8H,1-3,5-6H2,(H,18,19)(H2,13,14,16,20)
InChIKeyYHKGWMFLGDRMOG-UHFFFAOYSA-N
XLogP-0.93
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid (CID 61369877) is 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is YHKGWMFLGDRMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-4-7(13-12(20)14-9)5-10(17)15-3-1-2-8(15)6-11(18)19/h4,8H,1-3,5-6H2,(H,18,19)(H2,13,14,16,20).
What are the key properties of 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 281.27 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61369877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).