2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

C11H17F3N2O3 — CID 81169789

IUPAC2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(=O)CC1(CN)CCC1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-9(8(18)19,11(12,13)14)16-7(17)5-10(6-15)3-2-4-10/h2-6,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyFXDKGSGHYYHWRX-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.03
Rot. Bonds5

About 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 81169789) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID81169789
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(=O)CC1(CN)CCC1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-9(8(18)19,11(12,13)14)16-7(17)5-10(6-15)3-2-4-10/h2-6,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyFXDKGSGHYYHWRX-UHFFFAOYSA-N
XLogP1.03
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid with MolForge

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Related Compounds

2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid
CID 81172480
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide
CID 106328639
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215
2-[1-(aminomethyl)cyclobutyl]-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106291709
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid
CID 81171912
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
CID 81179592
2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 106147918
tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161398
3,3-dimethylbutyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81162022
2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid
CID 81168920
2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104618585

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 81169789) is 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is CC(NC(=O)CC1(CN)CCC1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is FXDKGSGHYYHWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-9(8(18)19,11(12,13)14)16-7(17)5-10(6-15)3-2-4-10/h2-6,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 282.26 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 81169789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).