2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentyl]acetic acid

C12H15N3O5 — CID 64671208

IUPAC2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)CCCC1
InChIInChI=1S/C12H15N3O5/c16-8-5-7(13-11(20)14-8)10(19)15-12(6-9(17)18)3-1-2-4-12/h5H,1-4,6H2,(H,15,19)(H,17,18)(H2,13,14,16,20)
InChIKeyTUUKIBILHSASDC-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.42
Rot. Bonds4

About 2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentyl]acetic acid

2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentyl]acetic acid (PubChem CID 64671208) 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)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentyl]acetic acid
PubChem CID64671208
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)CCCC1
InChIInChI=1S/C12H15N3O5/c16-8-5-7(13-11(20)14-8)10(19)15-12(6-9(17)18)3-1-2-4-12/h5H,1-4,6H2,(H,15,19)(H,17,18)(H2,13,14,16,20)
InChIKeyTUUKIBILHSASDC-UHFFFAOYSA-N
XLogP-0.42
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
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)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentyl]acetic acid (CID 64671208) is 2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)CCCC1.
What is the InChIKey of 2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentyl]acetic acid?
The InChIKey is TUUKIBILHSASDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-8-5-7(13-11(20)14-8)10(19)15-12(6-9(17)18)3-1-2-4-12/h5H,1-4,6H2,(H,15,19)(H,17,18)(H2,13,14,16,20).
What are the key properties of 2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentyl]acetic acid?
2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentyl]acetic acid has a molecular weight of 281.27 g/mol, XLogP of -0.42, 4 rotatable bonds, 4 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)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64671208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).