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

C12H15N3O5 — CID 64814380

IUPAC2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H15N3O5/c16-9(7-5-13-12(20)15-10(7)17)14-8-4-2-1-3-6(8)11(18)19/h5-6,8H,1-4H2,(H,14,16)(H,18,19)(H2,13,15,17,20)
InChIKeyDMCTXEIZHXPUGD-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.56
Rot. Bonds3

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

2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64814380) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64814380
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H15N3O5/c16-9(7-5-13-12(20)15-10(7)17)14-8-4-2-1-3-6(8)11(18)19/h5-6,8H,1-4H2,(H,14,16)(H,18,19)(H2,13,15,17,20)
InChIKeyDMCTXEIZHXPUGD-UHFFFAOYSA-N
XLogP-0.56
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 64814380) is 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCCCC1C(=O)O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DMCTXEIZHXPUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9(7-5-13-12(20)15-10(7)17)14-8-4-2-1-3-6(8)11(18)19/h5-6,8H,1-4H2,(H,14,16)(H,18,19)(H2,13,15,17,20).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.56, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64814380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).