[(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate

C15H21FN2O3 — CID 57302866

IUPAC[(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OC(=O)[C@@H](N)Cc1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-9(2)7-12(17)14(19)21-15(20)13(18)8-10-5-3-4-6-11(10)16/h3-6,9,12-13H,7-8,17-18H2,1-2H3/t12-,13-/m0/s1
InChIKeyXSEKQTFQVOKGDZ-STQMWFEESA-N
MW296.34 g/mol
LogP1.14
Rot. Bonds6

About [(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate

[(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate (PubChem CID 57302866) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is [(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Name[(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate
PubChem CID57302866
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name[(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OC(=O)[C@@H](N)Cc1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-9(2)7-12(17)14(19)21-15(20)13(18)8-10-5-3-4-6-11(10)16/h3-6,9,12-13H,7-8,17-18H2,1-2H3/t12-,13-/m0/s1
InChIKeyXSEKQTFQVOKGDZ-STQMWFEESA-N
XLogP1.14
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl (2S)-2-amino-3-(2-fluorophenyl)propanoate
CID 102062750
methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037
2-amino-1-(2-fluorophenyl)pentan-3-one
CID 77428239
[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl] (2S)-2-amino-4-methylpentanoate
CID 54443221
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-amino-3-(2-fluorophenyl)-N-methylpropanamide
CID 116850583
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
CID 58458324
3-amino-1-(2,6-difluorophenyl)-5-methylhexan-2-one
CID 114935345
(2-methylphenyl)methyl 2-amino-4-methylpentanoate
CID 112510029
(2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide
CID 81377311
(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate?
The IUPAC name of [(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate (CID 57302866) is [(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate.
What is the SMILES notation for [(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate?
The canonical SMILES for [(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate is CC(C)C[C@H](N)C(=O)OC(=O)[C@@H](N)Cc1ccccc1F.
What is the InChIKey of [(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate?
The InChIKey is XSEKQTFQVOKGDZ-STQMWFEESA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-9(2)7-12(17)14(19)21-15(20)13(18)8-10-5-3-4-6-11(10)16/h3-6,9,12-13H,7-8,17-18H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of [(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate?
[(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate has a molecular weight of 296.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate is sourced from PubChem (CID 57302866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).