ethyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate

C20H23NO3 — CID 11324825

IUPACethyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-2-24-19(22)21-15-9-14-18(21)20(23,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18,23H,2,9,14-15H2,1H3/t18-/m0/s1
InChIKeyUFPCMNHURPNDSA-SFHVURJKSA-N
MW325.41 g/mol
LogP3.54
Rot. Bonds4

About ethyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate

ethyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate (PubChem CID 11324825) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate
PubChem CID11324825
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-2-24-19(22)21-15-9-14-18(21)20(23,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18,23H,2,9,14-15H2,1H3/t18-/m0/s1
InChIKeyUFPCMNHURPNDSA-SFHVURJKSA-N
XLogP3.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of ethyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate (CID 11324825) is ethyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate is CCOC(=O)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is UFPCMNHURPNDSA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-24-19(22)21-15-9-14-18(21)20(23,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18,23H,2,9,14-15H2,1H3/t18-/m0/s1.
What are the key properties of ethyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate?
ethyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11324825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).