1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid

C11H13N3O3 — CID 120530812

IUPAC1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1ncncc1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H13N3O3/c1-7-8(5-12-6-13-7)9(15)14-11(10(16)17)3-2-4-11/h5-6H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyUEXOTTLVWWZKOA-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.52
Rot. Bonds3

About 1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 120530812) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID120530812
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1ncncc1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H13N3O3/c1-7-8(5-12-6-13-7)9(15)14-11(10(16)17)3-2-4-11/h5-6H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyUEXOTTLVWWZKOA-UHFFFAOYSA-N
XLogP0.52
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 120530812) is 1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid is Cc1ncncc1C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is UEXOTTLVWWZKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-8(5-12-6-13-7)9(15)14-11(10(16)17)3-2-4-11/h5-6H,2-4H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120530812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).