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

C10H16F3NO3 — CID 103249242

IUPAC3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]propanoic acid
SMILESO=C(O)C(CNC1(CO)CCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7(8(16)17)5-14-9(6-15)3-1-2-4-9/h7,14-15H,1-6H2,(H,16,17)
InChIKeyVFFBHMNLGDOCQT-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.14
Rot. Bonds5

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

3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]propanoic acid (PubChem CID 103249242) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]propanoic acid
PubChem CID103249242
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]propanoic acid
SMILESO=C(O)C(CNC1(CO)CCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7(8(16)17)5-14-9(6-15)3-1-2-4-9/h7,14-15H,1-6H2,(H,16,17)
InChIKeyVFFBHMNLGDOCQT-UHFFFAOYSA-N
XLogP1.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.14
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]amino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]propanoic acid (CID 103249242) is 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]propanoic acid is O=C(O)C(CNC1(CO)CCCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]propanoic acid?
The InChIKey is VFFBHMNLGDOCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)7(8(16)17)5-14-9(6-15)3-1-2-4-9/h7,14-15H,1-6H2,(H,16,17).
What are the key properties of 3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]propanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.14, 5 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]amino]methyl]propanoic acid is sourced from PubChem (CID 103249242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).