2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid

C6H8F3NO2 — CID 50989533

IUPAC2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid
SMILESN[C@H]1[C@@H](CC(=O)O)[C@@H]1C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)4-2(5(4)10)1-3(11)12/h2,4-5H,1,10H2,(H,11,12)/t2-,4-,5-/m0/s1
InChIKeySZYHSWNETPABDR-SMYKQSBYSA-N
MW183.13 g/mol
LogP0.60
Rot. Bonds2

About 2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid

2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid (PubChem CID 50989533) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid
PubChem CID50989533
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid
SMILESN[C@H]1[C@@H](CC(=O)O)[C@@H]1C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)4-2(5(4)10)1-3(11)12/h2,4-5H,1,10H2,(H,11,12)/t2-,4-,5-/m0/s1
InChIKeySZYHSWNETPABDR-SMYKQSBYSA-N
XLogP0.60
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid (CID 50989533) is 2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid is N[C@H]1[C@@H](CC(=O)O)[C@@H]1C(F)(F)F.
What is the InChIKey of 2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid?
The InChIKey is SZYHSWNETPABDR-SMYKQSBYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)4-2(5(4)10)1-3(11)12/h2,4-5H,1,10H2,(H,11,12)/t2-,4-,5-/m0/s1.
What are the key properties of 2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid?
2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid has a molecular weight of 183.13 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 50989533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).