(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide

C31H39FN6O3 — CID 11757575

IUPAC(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide
SMILESCC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)Nc1cn([C@@](C)(C(=O)N2CCCC2)c2ccc(F)cc2)cn1
InChIInChI=1S/C31H39FN6O3/c1-30(2,33)28(40)35-25(13-9-12-22-10-5-4-6-11-22)27(39)36-26-20-38(21-34-26)31(3,23-14-16-24(32)17-15-23)29(41)37-18-7-8-19-37/h4-6,10-11,14-17,20-21,25H,7-9,12-13,18-19,33H2,1-3H3,(H,35,40)(H,36,39)/t25-,31-/m1/s1
InChIKeyWIMUBYAUCCQWLQ-OOWIMERYSA-N
MW562.69 g/mol
LogP3.59
Rot. Bonds11

About (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide

(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide (PubChem CID 11757575) has the molecular formula C31H39FN6O3 and a molecular weight of 562.69 g/mol. Its IUPAC name is (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide
PubChem CID11757575
Molecular FormulaC31H39FN6O3
Molecular Weight562.69 g/mol
Exact Mass562.31
IUPAC Name(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide
SMILESCC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)Nc1cn([C@@](C)(C(=O)N2CCCC2)c2ccc(F)cc2)cn1
InChIInChI=1S/C31H39FN6O3/c1-30(2,33)28(40)35-25(13-9-12-22-10-5-4-6-11-22)27(39)36-26-20-38(21-34-26)31(3,23-14-16-24(32)17-15-23)29(41)37-18-7-8-19-37/h4-6,10-11,14-17,20-21,25H,7-9,12-13,18-19,33H2,1-3H3,(H,35,40)(H,36,39)/t25-,31-/m1/s1
InChIKeyWIMUBYAUCCQWLQ-OOWIMERYSA-N
XLogP3.59
TPSA122.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.69
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide?
The IUPAC name of (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide (CID 11757575) is (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide.
What is the SMILES notation for (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide?
The canonical SMILES for (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide is CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)Nc1cn([C@@](C)(C(=O)N2CCCC2)c2ccc(F)cc2)cn1.
What is the InChIKey of (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide?
The InChIKey is WIMUBYAUCCQWLQ-OOWIMERYSA-N. The full InChI is InChI=1S/C31H39FN6O3/c1-30(2,33)28(40)35-25(13-9-12-22-10-5-4-6-11-22)27(39)36-26-20-38(21-34-26)31(3,23-14-16-24(32)17-15-23)29(41)37-18-7-8-19-37/h4-6,10-11,14-17,20-21,25H,7-9,12-13,18-19,33H2,1-3H3,(H,35,40)(H,36,39)/t25-,31-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide?
(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide has a molecular weight of 562.69 g/mol, XLogP of 3.59, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-fluorophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide is sourced from PubChem (CID 11757575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).