2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate

C14H19NO3 — CID 95562526

IUPAC2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate
SMILESO=C(OCCN1CCCC1)[C@@H](O)c1ccccc1
InChIInChI=1S/C14H19NO3/c16-13(12-6-2-1-3-7-12)14(17)18-11-10-15-8-4-5-9-15/h1-3,6-7,13,16H,4-5,8-11H2/t13-/m0/s1
InChIKeyUVHQOLUSVCKAKJ-ZDUSSCGKSA-N
MW249.31 g/mol
LogP1.36
Rot. Bonds5

About 2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate

2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate (PubChem CID 95562526) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate
PubChem CID95562526
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate
SMILESO=C(OCCN1CCCC1)[C@@H](O)c1ccccc1
InChIInChI=1S/C14H19NO3/c16-13(12-6-2-1-3-7-12)14(17)18-11-10-15-8-4-5-9-15/h1-3,6-7,13,16H,4-5,8-11H2/t13-/m0/s1
InChIKeyUVHQOLUSVCKAKJ-ZDUSSCGKSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-hydroxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
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pentyl (2R)-2-hydroxy-2-phenylacetate
CID 67071786
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
2-piperidin-1-ylethyl 2-hydroxybenzoate
CID 12633972
2-(4-benzhydrylpiperazin-1-yl)ethyl acetate
CID 57189910
2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
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ethyl 2-hydroxy-2-phenylacetate
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chloromethyl 2-hydroxy-2-phenylacetate
CID 123324758

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate?
The IUPAC name of 2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate (CID 95562526) is 2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate is O=C(OCCN1CCCC1)[C@@H](O)c1ccccc1.
What is the InChIKey of 2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate?
The InChIKey is UVHQOLUSVCKAKJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13(12-6-2-1-3-7-12)14(17)18-11-10-15-8-4-5-9-15/h1-3,6-7,13,16H,4-5,8-11H2/t13-/m0/s1.
What are the key properties of 2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate?
2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate has a molecular weight of 249.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 95562526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).