3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanoic acid

C11H18F3NO3 — CID 103260333

IUPAC3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanoic acid
SMILESO=C(O)C(CNCC1(CO)CCCC1)C(F)(F)F
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)8(9(17)18)5-15-6-10(7-16)3-1-2-4-10/h8,15-16H,1-7H2,(H,17,18)
InChIKeyIRIPQBDHWRWDOJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.39
Rot. Bonds6

About 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanoic acid

3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanoic acid (PubChem CID 103260333) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanoic acid
PubChem CID103260333
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanoic acid
SMILESO=C(O)C(CNCC1(CO)CCCC1)C(F)(F)F
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)8(9(17)18)5-15-6-10(7-16)3-1-2-4-10/h8,15-16H,1-7H2,(H,17,18)
InChIKeyIRIPQBDHWRWDOJ-UHFFFAOYSA-N
XLogP1.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanoic acid (CID 103260333) is 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanoic acid is O=C(O)C(CNCC1(CO)CCCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanoic acid?
The InChIKey is IRIPQBDHWRWDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c12-11(13,14)8(9(17)18)5-15-6-10(7-16)3-1-2-4-10/h8,15-16H,1-7H2,(H,17,18).
What are the key properties of 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanoic acid has a molecular weight of 269.26 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanoic acid is sourced from PubChem (CID 103260333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).