2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid

C15H29N3O3 — CID 105419669

IUPAC2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid
SMILESCN(CC1(N(C)C)CCC1)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-14(2,3)18(10-12(19)20)13(21)17(6)11-15(16(4)5)8-7-9-15/h7-11H2,1-6H3,(H,19,20)
InChIKeyAZCKNUZHKMNCLP-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.71
Rot. Bonds5

About 2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid

2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid (PubChem CID 105419669) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid
PubChem CID105419669
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid
SMILESCN(CC1(N(C)C)CCC1)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-14(2,3)18(10-12(19)20)13(21)17(6)11-15(16(4)5)8-7-9-15/h7-11H2,1-6H3,(H,19,20)
InChIKeyAZCKNUZHKMNCLP-UHFFFAOYSA-N
XLogP1.71
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]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-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid (CID 105419669) is 2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid is CN(CC1(N(C)C)CCC1)C(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid?
The InChIKey is AZCKNUZHKMNCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-14(2,3)18(10-12(19)20)13(21)17(6)11-15(16(4)5)8-7-9-15/h7-11H2,1-6H3,(H,19,20).
What are the key properties of 2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid?
2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid has a molecular weight of 299.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 105419669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).