(5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one

C14H17F2N3O2 — CID 23646442

IUPAC(5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one
SMILESC[C@@H]1C(=O)NCN1C(=O)C[C@H](N)Cc1cc(F)ccc1F
InChIInChI=1S/C14H17F2N3O2/c1-8-14(21)18-7-19(8)13(20)6-11(17)5-9-4-10(15)2-3-12(9)16/h2-4,8,11H,5-7,17H2,1H3,(H,18,21)/t8-,11-/m1/s1
InChIKeyJQBDRMJOGLRKIM-LDYMZIIASA-N
MW297.31 g/mol
LogP0.53
Rot. Bonds4

About (5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one

(5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one (PubChem CID 23646442) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is (5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name(5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one
PubChem CID23646442
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name(5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one
SMILESC[C@@H]1C(=O)NCN1C(=O)C[C@H](N)Cc1cc(F)ccc1F
InChIInChI=1S/C14H17F2N3O2/c1-8-14(21)18-7-19(8)13(20)6-11(17)5-9-4-10(15)2-3-12(9)16/h2-4,8,11H,5-7,17H2,1H3,(H,18,21)/t8-,11-/m1/s1
InChIKeyJQBDRMJOGLRKIM-LDYMZIIASA-N
XLogP0.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one?
The IUPAC name of (5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one (CID 23646442) is (5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one.
What is the SMILES notation for (5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one?
The canonical SMILES for (5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one is C[C@@H]1C(=O)NCN1C(=O)C[C@H](N)Cc1cc(F)ccc1F.
What is the InChIKey of (5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one?
The InChIKey is JQBDRMJOGLRKIM-LDYMZIIASA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-8-14(21)18-7-19(8)13(20)6-11(17)5-9-4-10(15)2-3-12(9)16/h2-4,8,11H,5-7,17H2,1H3,(H,18,21)/t8-,11-/m1/s1.
What are the key properties of (5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one?
(5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one has a molecular weight of 297.31 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one is sourced from PubChem (CID 23646442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).