2-[1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentyl]acetic acid

C12H15N3O5 — CID 64672775

IUPAC2-[1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2c[nH]c(=O)[nH]c2=O)CCCC1
InChIInChI=1S/C12H15N3O5/c16-8(17)5-12(3-1-2-4-12)15-10(19)7-6-13-11(20)14-9(7)18/h6H,1-5H2,(H,15,19)(H,16,17)(H2,13,14,18,20)
InChIKeyGBZBFLQJRKKAPB-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.42
Rot. Bonds4

About 2-[1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentyl]acetic acid

2-[1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentyl]acetic acid (PubChem CID 64672775) 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-5-carbonyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentyl]acetic acid
PubChem CID64672775
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2c[nH]c(=O)[nH]c2=O)CCCC1
InChIInChI=1S/C12H15N3O5/c16-8(17)5-12(3-1-2-4-12)15-10(19)7-6-13-11(20)14-9(7)18/h6H,1-5H2,(H,15,19)(H,16,17)(H2,13,14,18,20)
InChIKeyGBZBFLQJRKKAPB-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-5-carbonyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentyl]acetic acid (CID 64672775) is 2-[1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)c2c[nH]c(=O)[nH]c2=O)CCCC1.
What is the InChIKey of 2-[1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentyl]acetic acid?
The InChIKey is GBZBFLQJRKKAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-8(17)5-12(3-1-2-4-12)15-10(19)7-6-13-11(20)14-9(7)18/h6H,1-5H2,(H,15,19)(H,16,17)(H2,13,14,18,20).
What are the key properties of 2-[1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentyl]acetic acid?
2-[1-[(2,4-dioxo-1H-pyrimidine-5-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-5-carbonyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64672775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).