(5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

C8H12F3N3O4 — CID 66908013

IUPAC(5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
SMILESCC(N)[C@H]1NC(=O)N(C)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11N3O2.C2HF3O2/c1-3(7)4-5(10)9(2)6(11)8-4;3-2(4,5)1(6)7/h3-4H,7H2,1-2H3,(H,8,11);(H,6,7)/t3?,4-;/m1./s1
InChIKeyPAETZSNZAGKUEP-ZAQOELHGSA-N
MW271.19 g/mol
LogP-0.48
Rot. Bonds1

About (5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

(5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid (PubChem CID 66908013) has the molecular formula C8H12F3N3O4 and a molecular weight of 271.19 g/mol. Its IUPAC name is (5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
PubChem CID66908013
Molecular FormulaC8H12F3N3O4
Molecular Weight271.19 g/mol
Exact Mass271.08
IUPAC Name(5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
SMILESCC(N)[C@H]1NC(=O)N(C)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11N3O2.C2HF3O2/c1-3(7)4-5(10)9(2)6(11)8-4;3-2(4,5)1(6)7/h3-4H,7H2,1-2H3,(H,8,11);(H,6,7)/t3?,4-;/m1./s1
InChIKeyPAETZSNZAGKUEP-ZAQOELHGSA-N
XLogP-0.48
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of (5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid (CID 66908013) is (5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for (5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid is CC(N)[C@H]1NC(=O)N(C)C1=O.O=C(O)C(F)(F)F.
What is the InChIKey of (5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The InChIKey is PAETZSNZAGKUEP-ZAQOELHGSA-N. The full InChI is InChI=1S/C6H11N3O2.C2HF3O2/c1-3(7)4-5(10)9(2)6(11)8-4;3-2(4,5)1(6)7/h3-4H,7H2,1-2H3,(H,8,11);(H,6,7)/t3?,4-;/m1./s1.
What are the key properties of (5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
(5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid has a molecular weight of 271.19 g/mol, XLogP of -0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66908013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).