(2R,3R)-3-methoxy-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropanamide

C20H27N3O2S — CID 135288537

IUPAC(2R,3R)-3-methoxy-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropanamide
SMILESCO[C@H]([C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)N1CCCC1
InChIInChI=1S/C20H27N3O2S/c1-15(20(25-2)23-11-6-7-12-23)18(24)22-17(19-21-10-13-26-19)14-16-8-4-3-5-9-16/h3-5,8-10,13,15,17,20H,6-7,11-12,14H2,1-2H3,(H,22,24)/t15-,17-,20+/m0/s1
InChIKeyWVXFHKLUVGFCAO-RIFZZMRRSA-N
MW373.52 g/mol
LogP3.25
Rot. Bonds8

About (2R,3R)-3-methoxy-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropanamide

(2R,3R)-3-methoxy-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 135288537) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is (2R,3R)-3-methoxy-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name(2R,3R)-3-methoxy-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropanamide
PubChem CID135288537
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name(2R,3R)-3-methoxy-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropanamide
SMILESCO[C@H]([C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)N1CCCC1
InChIInChI=1S/C20H27N3O2S/c1-15(20(25-2)23-11-6-7-12-23)18(24)22-17(19-21-10-13-26-19)14-16-8-4-3-5-9-16/h3-5,8-10,13,15,17,20H,6-7,11-12,14H2,1-2H3,(H,22,24)/t15-,17-,20+/m0/s1
InChIKeyWVXFHKLUVGFCAO-RIFZZMRRSA-N
XLogP3.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methoxy-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of (2R,3R)-3-methoxy-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropanamide (CID 135288537) is (2R,3R)-3-methoxy-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for (2R,3R)-3-methoxy-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for (2R,3R)-3-methoxy-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropanamide is CO[C@H]([C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)N1CCCC1.
What is the InChIKey of (2R,3R)-3-methoxy-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is WVXFHKLUVGFCAO-RIFZZMRRSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-15(20(25-2)23-11-6-7-12-23)18(24)22-17(19-21-10-13-26-19)14-16-8-4-3-5-9-16/h3-5,8-10,13,15,17,20H,6-7,11-12,14H2,1-2H3,(H,22,24)/t15-,17-,20+/m0/s1.
What are the key properties of (2R,3R)-3-methoxy-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropanamide?
(2R,3R)-3-methoxy-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 373.52 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methoxy-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 135288537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).