ethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate

C24H37NO5 — CID 57032935

IUPACethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate
SMILESCCOC(=O)C(O)C1CCCN1C(=O)[C@@H](CCCCc1ccc(OC)cc1)C(C)C
InChIInChI=1S/C24H37NO5/c1-5-30-24(28)22(26)21-11-8-16-25(21)23(27)20(17(2)3)10-7-6-9-18-12-14-19(29-4)15-13-18/h12-15,17,20-22,26H,5-11,16H2,1-4H3/t20-,21?,22?/m0/s1
InChIKeyXYOLELVCVKHEEW-HWELCPFYSA-N
MW419.56 g/mol
LogP3.60
Rot. Bonds11

About ethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate

ethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate (PubChem CID 57032935) has the molecular formula C24H37NO5 and a molecular weight of 419.56 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate
PubChem CID57032935
Molecular FormulaC24H37NO5
Molecular Weight419.56 g/mol
Exact Mass419.27
IUPAC Nameethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate
SMILESCCOC(=O)C(O)C1CCCN1C(=O)[C@@H](CCCCc1ccc(OC)cc1)C(C)C
InChIInChI=1S/C24H37NO5/c1-5-30-24(28)22(26)21-11-8-16-25(21)23(27)20(17(2)3)10-7-6-9-18-12-14-19(29-4)15-13-18/h12-15,17,20-22,26H,5-11,16H2,1-4H3/t20-,21?,22?/m0/s1
InChIKeyXYOLELVCVKHEEW-HWELCPFYSA-N
XLogP3.60
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.56
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate with MolForge

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Related Compounds

2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid
CID 70045519
7-(4-methoxyphenyl)-2-propan-2-ylheptanoic acid
CID 139937457
(2S)-1-(9-phenyl-2-propan-2-ylnonanoyl)pyrrolidine-2-carbaldehyde
CID 15712745
(2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde
CID 15712746
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664
ethyl (2R)-2-hydroxy-2-[(2S)-1-[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetate
CID 15021070
ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate
CID 66289830
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 119466304
ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate
CID 10015086
4-(4-methoxyphenyl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 95342525
(2S,3R)-6-(4-ethoxyphenyl)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]hexanal
CID 89012665

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate?
The IUPAC name of ethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate (CID 57032935) is ethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate?
The canonical SMILES for ethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate is CCOC(=O)C(O)C1CCCN1C(=O)[C@@H](CCCCc1ccc(OC)cc1)C(C)C.
What is the InChIKey of ethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate?
The InChIKey is XYOLELVCVKHEEW-HWELCPFYSA-N. The full InChI is InChI=1S/C24H37NO5/c1-5-30-24(28)22(26)21-11-8-16-25(21)23(27)20(17(2)3)10-7-6-9-18-12-14-19(29-4)15-13-18/h12-15,17,20-22,26H,5-11,16H2,1-4H3/t20-,21?,22?/m0/s1.
What are the key properties of ethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate?
ethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate has a molecular weight of 419.56 g/mol, XLogP of 3.60, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-[1-[(2S)-6-(4-methoxyphenyl)-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]acetate is sourced from PubChem (CID 57032935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).