2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

C13H25N3O2 — CID 81171717

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCC(C)NC(=O)CN(C)C(=O)CC1(CN)CCC1
InChIInChI=1S/C13H25N3O2/c1-10(2)15-11(17)8-16(3)12(18)7-13(9-14)5-4-6-13/h10H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyFLPIZNZZAQPYGT-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (PubChem CID 81171717) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
PubChem CID81171717
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCC(C)NC(=O)CN(C)C(=O)CC1(CN)CCC1
InChIInChI=1S/C13H25N3O2/c1-10(2)15-11(17)8-16(3)12(18)7-13(9-14)5-4-6-13/h10H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyFLPIZNZZAQPYGT-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 60661823
3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-methylamino]-N,2-dimethylpropanamide
CID 106915392
2-[1-(aminomethyl)cyclobutyl]-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82937901
2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 104677833
2-[1-(aminomethyl)cyclobutyl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551782
2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 81169185
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
CID 81179592
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide
CID 115267579
4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride
CID 119272108
3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 64685273
2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide
CID 114417116

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (CID 81171717) is 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is CC(C)NC(=O)CN(C)C(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The InChIKey is FLPIZNZZAQPYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)15-11(17)8-16(3)12(18)7-13(9-14)5-4-6-13/h10H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 81171717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).