1-O-benzyl 2-O-ethyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate

C15H19NO5 — CID 18600533

IUPAC1-O-benzyl 2-O-ethyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)[C@@H]1CC(O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-2-20-14(18)13-8-12(17)9-16(13)15(19)21-10-11-6-4-3-5-7-11/h3-7,12-13,17H,2,8-10H2,1H3/t12?,13-/m0/s1
InChIKeyFEPRPINUVNZMRY-ABLWVSNPSA-N
MW293.32 g/mol
LogP1.32
Rot. Bonds4

About 1-O-benzyl 2-O-ethyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate

1-O-benzyl 2-O-ethyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate (PubChem CID 18600533) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-O-benzyl 2-O-ethyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-benzyl 2-O-ethyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
PubChem CID18600533
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-O-benzyl 2-O-ethyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)[C@@H]1CC(O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-2-20-14(18)13-8-12(17)9-16(13)15(19)21-10-11-6-4-3-5-7-11/h3-7,12-13,17H,2,8-10H2,1H3/t12?,13-/m0/s1
InChIKeyFEPRPINUVNZMRY-ABLWVSNPSA-N
XLogP1.32
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-O-benzyl 2-O-ethyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-benzyl 2-O-ethyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate (CID 18600533) is 1-O-benzyl 2-O-ethyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-benzyl 2-O-ethyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-benzyl 2-O-ethyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate is CCOC(=O)[C@@H]1CC(O)CN1C(=O)OCc1ccccc1.
What is the InChIKey of 1-O-benzyl 2-O-ethyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The InChIKey is FEPRPINUVNZMRY-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H19NO5/c1-2-20-14(18)13-8-12(17)9-16(13)15(19)21-10-11-6-4-3-5-7-11/h3-7,12-13,17H,2,8-10H2,1H3/t12?,13-/m0/s1.
What are the key properties of 1-O-benzyl 2-O-ethyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate?
1-O-benzyl 2-O-ethyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate has a molecular weight of 293.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-benzyl 2-O-ethyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 18600533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).