(2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

C17H23N3O3 — CID 124692825

IUPAC(2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1C[C@@H](O)CN1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H23N3O3/c1-11(19-17(23)15-9-14(21)10-18-15)12-4-6-13(7-5-12)20-8-2-3-16(20)22/h4-7,11,14-15,18,21H,2-3,8-10H2,1H3,(H,19,23)/t11-,14+,15+/m0/s1
InChIKeyVKAHEDJHKIROQC-NILFDRSVSA-N
MW317.39 g/mol
LogP0.71
Rot. Bonds4

About (2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

(2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 124692825) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID124692825
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1C[C@@H](O)CN1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H23N3O3/c1-11(19-17(23)15-9-14(21)10-18-15)12-4-6-13(7-5-12)20-8-2-3-16(20)22/h4-7,11,14-15,18,21H,2-3,8-10H2,1H3,(H,19,23)/t11-,14+,15+/m0/s1
InChIKeyVKAHEDJHKIROQC-NILFDRSVSA-N
XLogP0.71
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
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N-[1-(4-ethylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
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CID 43699561
N-[1-(4-ethynylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170438638
2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119755928
N-[1-(3,4-difluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43702101
2-(cyclopropylmethylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755935
N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43699119
(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 169000409
2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307520
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938023

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (CID 124692825) is (2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of (2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is VKAHEDJHKIROQC-NILFDRSVSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(19-17(23)15-9-14(21)10-18-15)12-4-6-13(7-5-12)20-8-2-3-16(20)22/h4-7,11,14-15,18,21H,2-3,8-10H2,1H3,(H,19,23)/t11-,14+,15+/m0/s1.
What are the key properties of (2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
(2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 124692825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).