benzyl (2S)-2-[(2S)-2-formylpiperidine-1-carbonyl]pyrrolidine-1-carboxylate

C19H24N2O4 — CID 46898083

IUPACbenzyl (2S)-2-[(2S)-2-formylpiperidine-1-carbonyl]pyrrolidine-1-carboxylate
SMILESO=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H24N2O4/c22-13-16-9-4-5-11-20(16)18(23)17-10-6-12-21(17)19(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-17H,4-6,9-12,14H2/t16-,17-/m0/s1
InChIKeyRCJMAACWTPHNIG-IRXDYDNUSA-N
MW344.41 g/mol
LogP2.37
Rot. Bonds4

About benzyl (2S)-2-[(2S)-2-formylpiperidine-1-carbonyl]pyrrolidine-1-carboxylate

benzyl (2S)-2-[(2S)-2-formylpiperidine-1-carbonyl]pyrrolidine-1-carboxylate (PubChem CID 46898083) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is benzyl (2S)-2-[(2S)-2-formylpiperidine-1-carbonyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[(2S)-2-formylpiperidine-1-carbonyl]pyrrolidine-1-carboxylate
PubChem CID46898083
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namebenzyl (2S)-2-[(2S)-2-formylpiperidine-1-carbonyl]pyrrolidine-1-carboxylate
SMILESO=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H24N2O4/c22-13-16-9-4-5-11-20(16)18(23)17-10-6-12-21(17)19(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-17H,4-6,9-12,14H2/t16-,17-/m0/s1
InChIKeyRCJMAACWTPHNIG-IRXDYDNUSA-N
XLogP2.37
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[(2S)-2-formylpiperidine-1-carbonyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-[(2S)-2-formylpiperidine-1-carbonyl]pyrrolidine-1-carboxylate (CID 46898083) is benzyl (2S)-2-[(2S)-2-formylpiperidine-1-carbonyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[(2S)-2-formylpiperidine-1-carbonyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-[(2S)-2-formylpiperidine-1-carbonyl]pyrrolidine-1-carboxylate is O=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-[(2S)-2-formylpiperidine-1-carbonyl]pyrrolidine-1-carboxylate?
The InChIKey is RCJMAACWTPHNIG-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-13-16-9-4-5-11-20(16)18(23)17-10-6-12-21(17)19(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-17H,4-6,9-12,14H2/t16-,17-/m0/s1.
What are the key properties of benzyl (2S)-2-[(2S)-2-formylpiperidine-1-carbonyl]pyrrolidine-1-carboxylate?
benzyl (2S)-2-[(2S)-2-formylpiperidine-1-carbonyl]pyrrolidine-1-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[(2S)-2-formylpiperidine-1-carbonyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 46898083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).