2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid

C12H17N5O4 — CID 61197671

IUPAC2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCN(CC(N)=O)C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C12H17N5O4/c1-17(6-8(13)18)11(21)16-12(3-2-4-12)10-14-5-7(15-10)9(19)20/h5H,2-4,6H2,1H3,(H2,13,18)(H,14,15)(H,16,21)(H,19,20)
InChIKeyLYWXLVMZMYSOAL-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.39
Rot. Bonds5

About 2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid

2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid (PubChem CID 61197671) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
PubChem CID61197671
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC Name2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCN(CC(N)=O)C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C12H17N5O4/c1-17(6-8(13)18)11(21)16-12(3-2-4-12)10-14-5-7(15-10)9(19)20/h5H,2-4,6H2,1H3,(H2,13,18)(H,14,15)(H,16,21)(H,19,20)
InChIKeyLYWXLVMZMYSOAL-UHFFFAOYSA-N
XLogP-0.39
TPSA141.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid (CID 61197671) is 2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid is CN(CC(N)=O)C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1.
What is the InChIKey of 2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is LYWXLVMZMYSOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4/c1-17(6-8(13)18)11(21)16-12(3-2-4-12)10-14-5-7(15-10)9(19)20/h5H,2-4,6H2,1H3,(H2,13,18)(H,14,15)(H,16,21)(H,19,20).
What are the key properties of 2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of -0.39, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 61197671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).