(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid

C7H7F3N2O2 — CID 125180929

IUPAC(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid
SMILESN[C@@](C(=O)O)(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)6(11,5(13)14)4-2-1-3-12-4/h1-3,12H,11H2,(H,13,14)/t6-/m1/s1
InChIKeyIIYPXQNPQQYUFN-ZCFIWIBFSA-N
MW208.14 g/mol
LogP0.82
Rot. Bonds2

About (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid

(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid (PubChem CID 125180929) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid
PubChem CID125180929
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid
SMILESN[C@@](C(=O)O)(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)6(11,5(13)14)4-2-1-3-12-4/h1-3,12H,11H2,(H,13,14)/t6-/m1/s1
InChIKeyIIYPXQNPQQYUFN-ZCFIWIBFSA-N
XLogP0.82
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid (CID 125180929) is (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid is N[C@@](C(=O)O)(c1ccc[nH]1)C(F)(F)F.
What is the InChIKey of (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid?
The InChIKey is IIYPXQNPQQYUFN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)6(11,5(13)14)4-2-1-3-12-4/h1-3,12H,11H2,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid?
(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid has a molecular weight of 208.14 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid is sourced from PubChem (CID 125180929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).