ethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate

C16H21NO5 — CID 141452248

IUPACethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN1C(=O)C(C)Oc1ccc(O)cc1
InChIInChI=1S/C16H21NO5/c1-3-21-16(20)14-5-4-10-17(14)15(19)11(2)22-13-8-6-12(18)7-9-13/h6-9,11,14,18H,3-5,10H2,1-2H3/t11?,14-/m0/s1
InChIKeyRCJNKJMBXBVCMP-IAXJKZSUSA-N
MW307.35 g/mol
LogP1.71
Rot. Bonds5

About ethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate

ethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate (PubChem CID 141452248) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate
PubChem CID141452248
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Nameethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN1C(=O)C(C)Oc1ccc(O)cc1
InChIInChI=1S/C16H21NO5/c1-3-21-16(20)14-5-4-10-17(14)15(19)11(2)22-13-8-6-12(18)7-9-13/h6-9,11,14,18H,3-5,10H2,1-2H3/t11?,14-/m0/s1
InChIKeyRCJNKJMBXBVCMP-IAXJKZSUSA-N
XLogP1.71
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate
CID 112688316
1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239889
ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 55006105
ethyl 1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 55006109
ethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate
CID 108568096
ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 78958335
1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239854
(2S)-1-[2-(4-chloro-3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365846
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 92920729
ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 78917554
2-(4-hydroxyphenoxy)-1-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108545473

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate (CID 141452248) is ethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1CCCN1C(=O)C(C)Oc1ccc(O)cc1.
What is the InChIKey of ethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate?
The InChIKey is RCJNKJMBXBVCMP-IAXJKZSUSA-N. The full InChI is InChI=1S/C16H21NO5/c1-3-21-16(20)14-5-4-10-17(14)15(19)11(2)22-13-8-6-12(18)7-9-13/h6-9,11,14,18H,3-5,10H2,1-2H3/t11?,14-/m0/s1.
What are the key properties of ethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate?
ethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 141452248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).