(4R)-4-aminopent-2-enoic acid;2,2,2-trifluoroacetic acid

C7H10F3NO4 — CID 173095983

IUPAC(4R)-4-aminopent-2-enoic acid;2,2,2-trifluoroacetic acid
SMILESC[C@@H](N)C=CC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9NO2.C2HF3O2/c1-4(6)2-3-5(7)8;3-2(4,5)1(6)7/h2-4H,6H2,1H3,(H,7,8);(H,6,7)/t4-;/m1./s1
InChIKeyPTIFBQUJUZBBIY-PGMHMLKASA-N
MW229.15 g/mol
LogP0.61
Rot. Bonds2

About (4R)-4-aminopent-2-enoic acid;2,2,2-trifluoroacetic acid

(4R)-4-aminopent-2-enoic acid;2,2,2-trifluoroacetic acid (PubChem CID 173095983) has the molecular formula C7H10F3NO4 and a molecular weight of 229.15 g/mol. Its IUPAC name is (4R)-4-aminopent-2-enoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(4R)-4-aminopent-2-enoic acid;2,2,2-trifluoroacetic acid
PubChem CID173095983
Molecular FormulaC7H10F3NO4
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Name(4R)-4-aminopent-2-enoic acid;2,2,2-trifluoroacetic acid
SMILESC[C@@H](N)C=CC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9NO2.C2HF3O2/c1-4(6)2-3-5(7)8;3-2(4,5)1(6)7/h2-4H,6H2,1H3,(H,7,8);(H,6,7)/t4-;/m1./s1
InChIKeyPTIFBQUJUZBBIY-PGMHMLKASA-N
XLogP0.61
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-aminopent-2-enoic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of (4R)-4-aminopent-2-enoic acid;2,2,2-trifluoroacetic acid (CID 173095983) is (4R)-4-aminopent-2-enoic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (4R)-4-aminopent-2-enoic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for (4R)-4-aminopent-2-enoic acid;2,2,2-trifluoroacetic acid is C[C@@H](N)C=CC(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of (4R)-4-aminopent-2-enoic acid;2,2,2-trifluoroacetic acid?
The InChIKey is PTIFBQUJUZBBIY-PGMHMLKASA-N. The full InChI is InChI=1S/C5H9NO2.C2HF3O2/c1-4(6)2-3-5(7)8;3-2(4,5)1(6)7/h2-4H,6H2,1H3,(H,7,8);(H,6,7)/t4-;/m1./s1.
What are the key properties of (4R)-4-aminopent-2-enoic acid;2,2,2-trifluoroacetic acid?
(4R)-4-aminopent-2-enoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 229.15 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-aminopent-2-enoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 173095983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).