2-amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid

C6H9F3N2O3 — CID 87289496

IUPAC2-amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid
SMILESNC(CNC(=O)CC(F)(F)F)C(=O)O
InChIInChI=1S/C6H9F3N2O3/c7-6(8,9)1-4(12)11-2-3(10)5(13)14/h3H,1-2,10H2,(H,11,12)(H,13,14)
InChIKeyBNFYXHLUPUQJDI-UHFFFAOYSA-N
MW214.14 g/mol
LogP-0.53
Rot. Bonds4

About 2-amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid

2-amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid (PubChem CID 87289496) has the molecular formula C6H9F3N2O3 and a molecular weight of 214.14 g/mol. Its IUPAC name is 2-amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid
PubChem CID87289496
Molecular FormulaC6H9F3N2O3
Molecular Weight214.14 g/mol
Exact Mass214.06
IUPAC Name2-amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid
SMILESNC(CNC(=O)CC(F)(F)F)C(=O)O
InChIInChI=1S/C6H9F3N2O3/c7-6(8,9)1-4(12)11-2-3(10)5(13)14/h3H,1-2,10H2,(H,11,12)(H,13,14)
InChIKeyBNFYXHLUPUQJDI-UHFFFAOYSA-N
XLogP-0.53
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid?
The IUPAC name of 2-amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid (CID 87289496) is 2-amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid is NC(CNC(=O)CC(F)(F)F)C(=O)O.
What is the InChIKey of 2-amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid?
The InChIKey is BNFYXHLUPUQJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O3/c7-6(8,9)1-4(12)11-2-3(10)5(13)14/h3H,1-2,10H2,(H,11,12)(H,13,14).
What are the key properties of 2-amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid?
2-amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid has a molecular weight of 214.14 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,3,3-trifluoropropanoylamino)propanoic acid is sourced from PubChem (CID 87289496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).