(2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide

C19H22N2O2 — CID 59336257

IUPAC(2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C([C@@H]1CC(O)CN1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c22-17-11-18(20-12-17)19(23)21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,17-18,20,22H,11-14H2/t17?,18-/m0/s1
InChIKeyONGZRIRZKQFXRQ-ZVAWYAOSSA-N
MW310.40 g/mol
LogP1.94
Rot. Bonds5

About (2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide

(2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 59336257) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide
PubChem CID59336257
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C([C@@H]1CC(O)CN1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c22-17-11-18(20-12-17)19(23)21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,17-18,20,22H,11-14H2/t17?,18-/m0/s1
InChIKeyONGZRIRZKQFXRQ-ZVAWYAOSSA-N
XLogP1.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-4-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 125153912
N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119791096
(2R,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 93370537
(2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 93370536
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 60937843
N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 60936759
N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54869026
4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 61254438
4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 19907192
N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54871079
(2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 159230149

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide (CID 59336257) is (2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide is O=C([C@@H]1CC(O)CN1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is ONGZRIRZKQFXRQ-ZVAWYAOSSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-17-11-18(20-12-17)19(23)21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,17-18,20,22H,11-14H2/t17?,18-/m0/s1.
What are the key properties of (2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide?
(2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 59336257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).