(2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide

C14H20N2O3 — CID 125135014

IUPAC(2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide
SMILESCO[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-19-13(10-5-3-2-4-6-10)9-16-14(18)12-7-11(17)8-15-12/h2-6,11-13,15,17H,7-9H2,1H3,(H,16,18)/t11-,12+,13-/m1/s1
InChIKeyQCJDNRDITOULMI-FRRDWIJNSA-N
MW264.32 g/mol
LogP0.21
Rot. Bonds5

About (2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide

(2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide (PubChem CID 125135014) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide
PubChem CID125135014
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide
SMILESCO[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-19-13(10-5-3-2-4-6-10)9-16-14(18)12-7-11(17)8-15-12/h2-6,11-13,15,17H,7-9H2,1H3,(H,16,18)/t11-,12+,13-/m1/s1
InChIKeyQCJDNRDITOULMI-FRRDWIJNSA-N
XLogP0.21
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(2-methoxy-2-phenylethyl)pyrrolidine-2-carboxamide
CID 119703911
(2R,4S)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125138942
(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125150269
N-(2-methoxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119278882
(4S)-N-[(2R)-2-methoxy-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide
CID 97062692
N-(2,3-diphenylpropyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119803955
4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119804985
(2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125134999
N-(2-methoxy-2-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119278884
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119832268
4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 62378948

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide (CID 125135014) is (2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide is CO[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1)c1ccccc1.
What is the InChIKey of (2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide?
The InChIKey is QCJDNRDITOULMI-FRRDWIJNSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-13(10-5-3-2-4-6-10)9-16-14(18)12-7-11(17)8-15-12/h2-6,11-13,15,17H,7-9H2,1H3,(H,16,18)/t11-,12+,13-/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 125135014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).