1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid

C10H15F3N2O3 — CID 115445840

IUPAC1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCC(N)(C(=O)NCC1(C(=O)O)CCC1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-8(14,10(11,12)13)6(16)15-5-9(7(17)18)3-2-4-9/h2-5,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyUMHATHBSJHBAEZ-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.64
Rot. Bonds4

About 1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445840) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115445840
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCC(N)(C(=O)NCC1(C(=O)O)CCC1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-8(14,10(11,12)13)6(16)15-5-9(7(17)18)3-2-4-9/h2-5,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyUMHATHBSJHBAEZ-UHFFFAOYSA-N
XLogP0.64
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-amino-2-methylpropanoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444450
2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide
CID 113293905
1-[[(2-amino-2-methylpentanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311179
1-[(2,2-dimethylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435631
2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide
CID 79811142
1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444412
1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445871
1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445234
1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246491
1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81361889
1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433058
1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445339

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 115445840) is 1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid is CC(N)(C(=O)NCC1(C(=O)O)CCC1)C(F)(F)F.
What is the InChIKey of 1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is UMHATHBSJHBAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-8(14,10(11,12)13)6(16)15-5-9(7(17)18)3-2-4-9/h2-5,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).