4-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H17N3O5 — CID 119230061

IUPAC4-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1c(=O)[nH]cc(C(=O)NC2CCC(C(=O)O)CC2)c1=O
InChIInChI=1S/C13H17N3O5/c1-16-11(18)9(6-14-13(16)21)10(17)15-8-4-2-7(3-5-8)12(19)20/h6-8H,2-5H2,1H3,(H,14,21)(H,15,17)(H,19,20)
InChIKeyHFVIPECFZJDILN-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.55
Rot. Bonds3

About 4-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119230061) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119230061
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name4-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1c(=O)[nH]cc(C(=O)NC2CCC(C(=O)O)CC2)c1=O
InChIInChI=1S/C13H17N3O5/c1-16-11(18)9(6-14-13(16)21)10(17)15-8-4-2-7(3-5-8)12(19)20/h6-8H,2-5H2,1H3,(H,14,21)(H,15,17)(H,19,20)
InChIKeyHFVIPECFZJDILN-UHFFFAOYSA-N
XLogP-0.55
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 119230061) is 4-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid is Cn1c(=O)[nH]cc(C(=O)NC2CCC(C(=O)O)CC2)c1=O.
What is the InChIKey of 4-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is HFVIPECFZJDILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-16-11(18)9(6-14-13(16)21)10(17)15-8-4-2-7(3-5-8)12(19)20/h6-8H,2-5H2,1H3,(H,14,21)(H,15,17)(H,19,20).
What are the key properties of 4-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119230061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).