2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide

C11H19F3N2O2 — CID 113293905

IUPAC2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NCC1(CO)CCCC1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-9(15,11(12,13)14)8(18)16-6-10(7-17)4-2-3-5-10/h17H,2-7,15H2,1H3,(H,16,18)
InChIKeyIKTYSRYUBOSLGD-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.94
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide (PubChem CID 113293905) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide
PubChem CID113293905
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NCC1(CO)CCCC1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-9(15,11(12,13)14)8(18)16-6-10(7-17)4-2-3-5-10/h17H,2-7,15H2,1H3,(H,16,18)
InChIKeyIKTYSRYUBOSLGD-UHFFFAOYSA-N
XLogP0.94
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide
CID 79811142
1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445840
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 112701928
2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide
CID 113309032
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide
CID 113258787
[1-[(tert-butylamino)methyl]cyclopentyl]methanol
CID 154955274
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide
CID 114142799
2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide
CID 113359686
N-[(1-ethylcyclopentyl)methyl]-2,2,2-trifluoroacetamide
CID 103766554
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide (CID 113293905) is 2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide is CC(N)(C(=O)NCC1(CO)CCCC1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide?
The InChIKey is IKTYSRYUBOSLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-9(15,11(12,13)14)8(18)16-6-10(7-17)4-2-3-5-10/h17H,2-7,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide has a molecular weight of 268.28 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 113293905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).