methyl 2-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]acetate

C14H19NO3 — CID 11736792

IUPACmethyl 2-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C[C@@H](O)CN1Cc1ccccc1
InChIInChI=1S/C14H19NO3/c1-18-14(17)8-12-7-13(16)10-15(12)9-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3/t12-,13+/m0/s1
InChIKeyYVSCRWRXBXUSGU-QWHCGFSZSA-N
MW249.31 g/mol
LogP1.18
Rot. Bonds4

About methyl 2-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]acetate

methyl 2-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]acetate (PubChem CID 11736792) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]acetate
PubChem CID11736792
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C[C@@H](O)CN1Cc1ccccc1
InChIInChI=1S/C14H19NO3/c1-18-14(17)8-12-7-13(16)10-15(12)9-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3/t12-,13+/m0/s1
InChIKeyYVSCRWRXBXUSGU-QWHCGFSZSA-N
XLogP1.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]acetate with MolForge

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Related Compounds

Preussin G
CID 145971659
Preussin E
CID 145975830
Preussin F
CID 145976597
2-((2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidin-2-yl)acetic acid
CID 11187257
2-((2S,4S)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidin-2-yl)acetic acid
CID 11291084
Preussin D
CID 145964947
Preubetain C
CID 145975733
6-Hydroxy-8-methyl-3-phenyl-8-aza-bicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester
CID 44322646
Methyl (2S,4R)-1-benzyl-4-hydroxypyrrolidine-2-carboxylate
CID 11470360
(2R,4S)-1-Benzyl-4-Hydroxy-pyrrolidine-2-carboxylic acid methyl ester
CID 14116991
(2S,4R)-1-Benzyl-4-hydroxy-pyrrolidine-2-carboxylic acid ethyl ester
CID 23248557
methyl 2-[(2S)-1-benzylpyrrolidin-2-yl]acetate
CID 59042589

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]acetate (CID 11736792) is methyl 2-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]acetate is COC(=O)C[C@@H]1C[C@@H](O)CN1Cc1ccccc1.
What is the InChIKey of methyl 2-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]acetate?
The InChIKey is YVSCRWRXBXUSGU-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-14(17)8-12-7-13(16)10-15(12)9-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3/t12-,13+/m0/s1.
What are the key properties of methyl 2-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]acetate?
methyl 2-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]acetate has a molecular weight of 249.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]acetate is sourced from PubChem (CID 11736792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).