2-[(2-aminocyclohexyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid

C15H22N4O5 — CID 21251922

IUPAC2-[(2-aminocyclohexyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESCc1cn(CC(=O)N(CC(=O)O)C2CCCCC2N)c(=O)[nH]c1=O
InChIInChI=1S/C15H22N4O5/c1-9-6-18(15(24)17-14(9)23)7-12(20)19(8-13(21)22)11-5-3-2-4-10(11)16/h6,10-11H,2-5,7-8,16H2,1H3,(H,21,22)(H,17,23,24)
InChIKeyWIBUJAMRDGCEOJ-UHFFFAOYSA-N
MW338.36 g/mol
LogP-0.97
Rot. Bonds5

About 2-[(2-aminocyclohexyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid

2-[(2-aminocyclohexyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid (PubChem CID 21251922) has the molecular formula C15H22N4O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
PubChem CID21251922
Molecular FormulaC15H22N4O5
Molecular Weight338.36 g/mol
Exact Mass338.16
IUPAC Name2-[(2-aminocyclohexyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESCc1cn(CC(=O)N(CC(=O)O)C2CCCCC2N)c(=O)[nH]c1=O
InChIInChI=1S/C15H22N4O5/c1-9-6-18(15(24)17-14(9)23)7-12(20)19(8-13(21)22)11-5-3-2-4-10(11)16/h6,10-11H,2-5,7-8,16H2,1H3,(H,21,22)(H,17,23,24)
InChIKeyWIBUJAMRDGCEOJ-UHFFFAOYSA-N
XLogP-0.97
TPSA138.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(2-aminocyclohexyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[(2-aminocyclohexyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid (CID 21251922) is 2-[(2-aminocyclohexyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-aminocyclohexyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[(2-aminocyclohexyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid is Cc1cn(CC(=O)N(CC(=O)O)C2CCCCC2N)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(2-aminocyclohexyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is WIBUJAMRDGCEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5/c1-9-6-18(15(24)17-14(9)23)7-12(20)19(8-13(21)22)11-5-3-2-4-10(11)16/h6,10-11H,2-5,7-8,16H2,1H3,(H,21,22)(H,17,23,24).
What are the key properties of 2-[(2-aminocyclohexyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid?
2-[(2-aminocyclohexyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 338.36 g/mol, XLogP of -0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 21251922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).