(2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide

C18H27N3O3 — CID 124688095

IUPAC(2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc([C@H](CNC(=O)[C@@H]2C[C@@H](O)CN2)N2CCCC2)c1
InChIInChI=1S/C18H27N3O3/c1-24-15-6-4-5-13(9-15)17(21-7-2-3-8-21)12-20-18(23)16-10-14(22)11-19-16/h4-6,9,14,16-17,19,22H,2-3,7-8,10-12H2,1H3,(H,20,23)/t14-,16+,17+/m1/s1
InChIKeyBKJZKPUCFGDAPC-PVAVHDDUSA-N
MW333.43 g/mol
LogP0.67
Rot. Bonds6

About (2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide

(2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide (PubChem CID 124688095) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
PubChem CID124688095
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc([C@H](CNC(=O)[C@@H]2C[C@@H](O)CN2)N2CCCC2)c1
InChIInChI=1S/C18H27N3O3/c1-24-15-6-4-5-13(9-15)17(21-7-2-3-8-21)12-20-18(23)16-10-14(22)11-19-16/h4-6,9,14,16-17,19,22H,2-3,7-8,10-12H2,1H3,(H,20,23)/t14-,16+,17+/m1/s1
InChIKeyBKJZKPUCFGDAPC-PVAVHDDUSA-N
XLogP0.67
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide
CID 120631213
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide
CID 119832218
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,2-dimethylpropanamide
CID 134026624
2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 55522276
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethylbenzamide
CID 43007764
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide
CID 119829592
(4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide
CID 124628276
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
2-(2,5-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 78822011

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide (CID 124688095) is (2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide is COc1cccc([C@H](CNC(=O)[C@@H]2C[C@@H](O)CN2)N2CCCC2)c1.
What is the InChIKey of (2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide?
The InChIKey is BKJZKPUCFGDAPC-PVAVHDDUSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-24-15-6-4-5-13(9-15)17(21-7-2-3-8-21)12-20-18(23)16-10-14(22)11-19-16/h4-6,9,14,16-17,19,22H,2-3,7-8,10-12H2,1H3,(H,20,23)/t14-,16+,17+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 124688095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).