2-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide

C10H17F3N2O2 — CID 114093533

IUPAC2-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC(O)C(F)(F)F)CCCC1N
InChIInChI=1S/C10H17F3N2O2/c1-9(4-2-3-6(9)14)8(17)15-5-7(16)10(11,12)13/h6-7,16H,2-5,14H2,1H3,(H,15,17)
InChIKeyXINWGUFWRREOOU-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.54
Rot. Bonds3

About 2-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide

2-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide (PubChem CID 114093533) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
PubChem CID114093533
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC(O)C(F)(F)F)CCCC1N
InChIInChI=1S/C10H17F3N2O2/c1-9(4-2-3-6(9)14)8(17)15-5-7(16)10(11,12)13/h6-7,16H,2-5,14H2,1H3,(H,15,17)
InChIKeyXINWGUFWRREOOU-UHFFFAOYSA-N
XLogP0.54
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide (CID 114093533) is 2-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide is CC1(C(=O)NCC(O)C(F)(F)F)CCCC1N.
What is the InChIKey of 2-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
The InChIKey is XINWGUFWRREOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-9(4-2-3-6(9)14)8(17)15-5-7(16)10(11,12)13/h6-7,16H,2-5,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
2-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 114093533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).