(2R,4R)-4-hydroxy-1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxamide

C19H26N2O4 — CID 97083149

IUPAC(2R,4R)-4-hydroxy-1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)N2C[C@H](O)C[C@@H]2C(N)=O)cc1
InChIInChI=1S/C19H26N2O4/c1-12(2)9-13-3-5-14(6-4-13)17(23)7-8-18(24)21-11-15(22)10-16(21)19(20)25/h3-6,12,15-16,22H,7-11H2,1-2H3,(H2,20,25)/t15-,16-/m1/s1
InChIKeyAFMMJOBGZDMGAT-HZPDHXFCSA-N
MW346.43 g/mol
LogP1.30
Rot. Bonds7

About (2R,4R)-4-hydroxy-1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxamide

(2R,4R)-4-hydroxy-1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxamide (PubChem CID 97083149) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxamide
PubChem CID97083149
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(2R,4R)-4-hydroxy-1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)N2C[C@H](O)C[C@@H]2C(N)=O)cc1
InChIInChI=1S/C19H26N2O4/c1-12(2)9-13-3-5-14(6-4-13)17(23)7-8-18(24)21-11-15(22)10-16(21)19(20)25/h3-6,12,15-16,22H,7-11H2,1-2H3,(H2,20,25)/t15-,16-/m1/s1
InChIKeyAFMMJOBGZDMGAT-HZPDHXFCSA-N
XLogP1.30
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-hydroxy-1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxamide (CID 97083149) is (2R,4R)-4-hydroxy-1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-hydroxy-1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxamide is CC(C)Cc1ccc(C(=O)CCC(=O)N2C[C@H](O)C[C@@H]2C(N)=O)cc1.
What is the InChIKey of (2R,4R)-4-hydroxy-1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxamide?
The InChIKey is AFMMJOBGZDMGAT-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12(2)9-13-3-5-14(6-4-13)17(23)7-8-18(24)21-11-15(22)10-16(21)19(20)25/h3-6,12,15-16,22H,7-11H2,1-2H3,(H2,20,25)/t15-,16-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxamide?
(2R,4R)-4-hydroxy-1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 97083149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).