(2R)-2-amino-N-prop-2-ynylpent-4-enamide;2,2,2-trifluoroacetic acid

C10H13F3N2O3 — CID 118535928

IUPAC(2R)-2-amino-N-prop-2-ynylpent-4-enamide;2,2,2-trifluoroacetic acid
SMILESC#CCNC(=O)[C@H](N)CC=C.O=C(O)C(F)(F)F
InChIInChI=1S/C8H12N2O.C2HF3O2/c1-3-5-7(9)8(11)10-6-4-2;3-2(4,5)1(6)7/h2-3,7H,1,5-6,9H2,(H,10,11);(H,6,7)/t7-;/m1./s1
InChIKeyYCPWJKCEFYRMJW-OGFXRTJISA-N
MW266.22 g/mol
LogP0.27
Rot. Bonds4

About (2R)-2-amino-N-prop-2-ynylpent-4-enamide;2,2,2-trifluoroacetic acid

(2R)-2-amino-N-prop-2-ynylpent-4-enamide;2,2,2-trifluoroacetic acid (PubChem CID 118535928) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is (2R)-2-amino-N-prop-2-ynylpent-4-enamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R)-2-amino-N-prop-2-ynylpent-4-enamide;2,2,2-trifluoroacetic acid
PubChem CID118535928
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name(2R)-2-amino-N-prop-2-ynylpent-4-enamide;2,2,2-trifluoroacetic acid
SMILESC#CCNC(=O)[C@H](N)CC=C.O=C(O)C(F)(F)F
InChIInChI=1S/C8H12N2O.C2HF3O2/c1-3-5-7(9)8(11)10-6-4-2;3-2(4,5)1(6)7/h2-3,7H,1,5-6,9H2,(H,10,11);(H,6,7)/t7-;/m1./s1
InChIKeyYCPWJKCEFYRMJW-OGFXRTJISA-N
XLogP0.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-prop-2-ynylpent-4-enamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R)-2-amino-N-prop-2-ynylpent-4-enamide;2,2,2-trifluoroacetic acid (CID 118535928) is (2R)-2-amino-N-prop-2-ynylpent-4-enamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R)-2-amino-N-prop-2-ynylpent-4-enamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R)-2-amino-N-prop-2-ynylpent-4-enamide;2,2,2-trifluoroacetic acid is C#CCNC(=O)[C@H](N)CC=C.O=C(O)C(F)(F)F.
What is the InChIKey of (2R)-2-amino-N-prop-2-ynylpent-4-enamide;2,2,2-trifluoroacetic acid?
The InChIKey is YCPWJKCEFYRMJW-OGFXRTJISA-N. The full InChI is InChI=1S/C8H12N2O.C2HF3O2/c1-3-5-7(9)8(11)10-6-4-2;3-2(4,5)1(6)7/h2-3,7H,1,5-6,9H2,(H,10,11);(H,6,7)/t7-;/m1./s1.
What are the key properties of (2R)-2-amino-N-prop-2-ynylpent-4-enamide;2,2,2-trifluoroacetic acid?
(2R)-2-amino-N-prop-2-ynylpent-4-enamide;2,2,2-trifluoroacetic acid has a molecular weight of 266.22 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-prop-2-ynylpent-4-enamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118535928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).