2-amino-2-[1-(trifluoromethyl)cyclopropyl]azetidine-1,3-dicarboxylic acid

C9H11F3N2O4 — CID 175981565

IUPAC2-amino-2-[1-(trifluoromethyl)cyclopropyl]azetidine-1,3-dicarboxylic acid
SMILESNC1(C2(C(F)(F)F)CC2)C(C(=O)O)CN1C(=O)O
InChIInChI=1S/C9H11F3N2O4/c10-9(11,12)7(1-2-7)8(13)4(5(15)16)3-14(8)6(17)18/h4H,1-3,13H2,(H,15,16)(H,17,18)
InChIKeyAFKUZJNSIBQCOI-UHFFFAOYSA-N
MW268.19 g/mol
LogP0.68
Rot. Bonds2

About 2-amino-2-[1-(trifluoromethyl)cyclopropyl]azetidine-1,3-dicarboxylic acid

2-amino-2-[1-(trifluoromethyl)cyclopropyl]azetidine-1,3-dicarboxylic acid (PubChem CID 175981565) has the molecular formula C9H11F3N2O4 and a molecular weight of 268.19 g/mol. Its IUPAC name is 2-amino-2-[1-(trifluoromethyl)cyclopropyl]azetidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-2-[1-(trifluoromethyl)cyclopropyl]azetidine-1,3-dicarboxylic acid
PubChem CID175981565
Molecular FormulaC9H11F3N2O4
Molecular Weight268.19 g/mol
Exact Mass268.07
IUPAC Name2-amino-2-[1-(trifluoromethyl)cyclopropyl]azetidine-1,3-dicarboxylic acid
SMILESNC1(C2(C(F)(F)F)CC2)C(C(=O)O)CN1C(=O)O
InChIInChI=1S/C9H11F3N2O4/c10-9(11,12)7(1-2-7)8(13)4(5(15)16)3-14(8)6(17)18/h4H,1-3,13H2,(H,15,16)(H,17,18)
InChIKeyAFKUZJNSIBQCOI-UHFFFAOYSA-N
XLogP0.68
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[1-(trifluoromethyl)cyclopropyl]azetidine-1,3-dicarboxylic acid?
The IUPAC name of 2-amino-2-[1-(trifluoromethyl)cyclopropyl]azetidine-1,3-dicarboxylic acid (CID 175981565) is 2-amino-2-[1-(trifluoromethyl)cyclopropyl]azetidine-1,3-dicarboxylic acid.
What is the SMILES notation for 2-amino-2-[1-(trifluoromethyl)cyclopropyl]azetidine-1,3-dicarboxylic acid?
The canonical SMILES for 2-amino-2-[1-(trifluoromethyl)cyclopropyl]azetidine-1,3-dicarboxylic acid is NC1(C2(C(F)(F)F)CC2)C(C(=O)O)CN1C(=O)O.
What is the InChIKey of 2-amino-2-[1-(trifluoromethyl)cyclopropyl]azetidine-1,3-dicarboxylic acid?
The InChIKey is AFKUZJNSIBQCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O4/c10-9(11,12)7(1-2-7)8(13)4(5(15)16)3-14(8)6(17)18/h4H,1-3,13H2,(H,15,16)(H,17,18).
What are the key properties of 2-amino-2-[1-(trifluoromethyl)cyclopropyl]azetidine-1,3-dicarboxylic acid?
2-amino-2-[1-(trifluoromethyl)cyclopropyl]azetidine-1,3-dicarboxylic acid has a molecular weight of 268.19 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-(trifluoromethyl)cyclopropyl]azetidine-1,3-dicarboxylic acid is sourced from PubChem (CID 175981565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).