(2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide

C23H30N2O2 — CID 156588051

IUPAC(2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)C[C@H](N1CCC[C@H]1C(N)=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-17(2)16-21(25-15-9-14-20(25)22(24)26)23(27,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-21,27H,9,14-16H2,1-2H3,(H2,24,26)/t20-,21-/m0/s1
InChIKeyKHLGETPCJYZSAO-SFTDATJTSA-N
MW366.50 g/mol
LogP3.29
Rot. Bonds7

About (2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 156588051) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is (2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide
PubChem CID156588051
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name(2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)C[C@H](N1CCC[C@H]1C(N)=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-17(2)16-21(25-15-9-14-20(25)22(24)26)23(27,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-21,27H,9,14-16H2,1-2H3,(H2,24,26)/t20-,21-/m0/s1
InChIKeyKHLGETPCJYZSAO-SFTDATJTSA-N
XLogP3.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide
CID 55017137
1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 174658326
1-butan-2-ylpyrrolidine-2-carboxamide
CID 131201186
1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide
CID 62037047
1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-2-carboxamide
CID 43752688
1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide
CID 146015068
1-(2-amino-1-thiophen-2-ylpropyl)pyrrolidine-2-carboxamide
CID 55021902
1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 55016470
(2S)-2-[[(2S)-1-benzoylpyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 101140521
(2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide
CID 95905191
1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide
CID 55117539

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide (CID 156588051) is (2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide is CC(C)C[C@H](N1CCC[C@H]1C(N)=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is KHLGETPCJYZSAO-SFTDATJTSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17(2)16-21(25-15-9-14-20(25)22(24)26)23(27,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-21,27H,9,14-16H2,1-2H3,(H2,24,26)/t20-,21-/m0/s1.
What are the key properties of (2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 366.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 156588051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).