2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]acetic acid

C12H15N3O5 — CID 62690929

IUPAC2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C12H15N3O5/c16-9-5-8(13-12(20)14-9)11(19)15-3-1-2-7(6-15)4-10(17)18/h5,7H,1-4,6H2,(H,17,18)(H2,13,14,16,20)
InChIKeyBHPQCKKUUDNNED-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.61
Rot. Bonds3

About 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]acetic acid

2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 62690929) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]acetic acid
PubChem CID62690929
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C12H15N3O5/c16-9-5-8(13-12(20)14-9)11(19)15-3-1-2-7(6-15)4-10(17)18/h5,7H,1-4,6H2,(H,17,18)(H2,13,14,16,20)
InChIKeyBHPQCKKUUDNNED-UHFFFAOYSA-N
XLogP-0.61
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]acetic acid (CID 62690929) is 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is BHPQCKKUUDNNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-5-8(13-12(20)14-9)11(19)15-3-1-2-7(6-15)4-10(17)18/h5,7H,1-4,6H2,(H,17,18)(H2,13,14,16,20).
What are the key properties of 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 281.27 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).