(2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide

C26H28N2O2 — CID 134948853

IUPAC(2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide
SMILESCC1CN[C@H](C(=O)N[C@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H28N2O2/c1-19-17-23(27-18-19)25(29)28-24(20-11-5-2-6-12-20)26(30,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24,27,30H,17-18H2,1H3,(H,28,29)/t19?,23-,24+/m0/s1
InChIKeyRHIGQBIKQTWMOK-ZJWHSJSFSA-N
MW400.52 g/mol
LogP3.78
Rot. Bonds6

About (2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide

(2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide (PubChem CID 134948853) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is (2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide
PubChem CID134948853
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name(2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide
SMILESCC1CN[C@H](C(=O)N[C@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H28N2O2/c1-19-17-23(27-18-19)25(29)28-24(20-11-5-2-6-12-20)26(30,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24,27,30H,17-18H2,1H3,(H,28,29)/t19?,23-,24+/m0/s1
InChIKeyRHIGQBIKQTWMOK-ZJWHSJSFSA-N
XLogP3.78
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide (CID 134948853) is (2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide is CC1CN[C@H](C(=O)N[C@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide?
The InChIKey is RHIGQBIKQTWMOK-ZJWHSJSFSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-19-17-23(27-18-19)25(29)28-24(20-11-5-2-6-12-20)26(30,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24,27,30H,17-18H2,1H3,(H,28,29)/t19?,23-,24+/m0/s1.
What are the key properties of (2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide?
(2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134948853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).