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

C10H11N3O5 — CID 81157932

IUPAC1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H11N3O5/c14-6-4-5(11-9(18)12-6)7(15)13-10(8(16)17)2-1-3-10/h4H,1-3H2,(H,13,15)(H,16,17)(H2,11,12,14,18)
InChIKeyYITCVEROBONTSF-UHFFFAOYSA-N
MW253.21 g/mol
LogP-1.20
Rot. Bonds3

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

1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81157932) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81157932
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H11N3O5/c14-6-4-5(11-9(18)12-6)7(15)13-10(8(16)17)2-1-3-10/h4H,1-3H2,(H,13,15)(H,16,17)(H2,11,12,14,18)
InChIKeyYITCVEROBONTSF-UHFFFAOYSA-N
XLogP-1.20
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81157932) is 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is YITCVEROBONTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5/c14-6-4-5(11-9(18)12-6)7(15)13-10(8(16)17)2-1-3-10/h4H,1-3H2,(H,13,15)(H,16,17)(H2,11,12,14,18).
What are the key properties of 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 253.21 g/mol, XLogP of -1.20, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81157932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).