benzyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate

C15H19NO4 — CID 13425761

IUPACbenzyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c1-19-14(17)10-13-8-5-9-16(13)15(18)20-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-/m0/s1
InChIKeyXNYIZVPSGNHISO-ZDUSSCGKSA-N
MW277.32 g/mol
LogP2.35
Rot. Bonds4

About benzyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate

benzyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate (PubChem CID 13425761) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is benzyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
PubChem CID13425761
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namebenzyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c1-19-14(17)10-13-8-5-9-16(13)15(18)20-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-/m0/s1
InChIKeyXNYIZVPSGNHISO-ZDUSSCGKSA-N
XLogP2.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate (CID 13425761) is benzyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate is COC(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The InChIKey is XNYIZVPSGNHISO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-14(17)10-13-8-5-9-16(13)15(18)20-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-/m0/s1.
What are the key properties of benzyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
benzyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 13425761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).