benzyl (2R)-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-pyridin-2-ylpyrrolidine-2-carboxylate

C25H28N4O5 — CID 18600986

IUPACbenzyl (2R)-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-pyridin-2-ylpyrrolidine-2-carboxylate
SMILESC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@]1(C(=O)OCc1ccccc1)c1ccccn1
InChIInChI=1S/C25H28N4O5/c1-17(27-22(31)19-11-12-21(30)28-19)23(32)29-15-7-13-25(29,20-10-5-6-14-26-20)24(33)34-16-18-8-3-2-4-9-18/h2-6,8-10,14,17,19H,7,11-13,15-16H2,1H3,(H,27,31)(H,28,30)/t17-,19-,25+/m0/s1
InChIKeyYGCAPUGEBYVQTG-FXJWSJNKSA-N
MW464.52 g/mol
LogP1.43
Rot. Bonds7

About benzyl (2R)-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-pyridin-2-ylpyrrolidine-2-carboxylate

benzyl (2R)-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-pyridin-2-ylpyrrolidine-2-carboxylate (PubChem CID 18600986) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is benzyl (2R)-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-pyridin-2-ylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-pyridin-2-ylpyrrolidine-2-carboxylate
PubChem CID18600986
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Namebenzyl (2R)-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-pyridin-2-ylpyrrolidine-2-carboxylate
SMILESC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@]1(C(=O)OCc1ccccc1)c1ccccn1
InChIInChI=1S/C25H28N4O5/c1-17(27-22(31)19-11-12-21(30)28-19)23(32)29-15-7-13-25(29,20-10-5-6-14-26-20)24(33)34-16-18-8-3-2-4-9-18/h2-6,8-10,14,17,19H,7,11-13,15-16H2,1H3,(H,27,31)(H,28,30)/t17-,19-,25+/m0/s1
InChIKeyYGCAPUGEBYVQTG-FXJWSJNKSA-N
XLogP1.43
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze benzyl (2R)-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-pyridin-2-ylpyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-pyridin-2-ylpyrrolidine-2-carboxylate?
The IUPAC name of benzyl (2R)-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-pyridin-2-ylpyrrolidine-2-carboxylate (CID 18600986) is benzyl (2R)-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-pyridin-2-ylpyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl (2R)-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-pyridin-2-ylpyrrolidine-2-carboxylate?
The canonical SMILES for benzyl (2R)-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-pyridin-2-ylpyrrolidine-2-carboxylate is C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@]1(C(=O)OCc1ccccc1)c1ccccn1.
What is the InChIKey of benzyl (2R)-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-pyridin-2-ylpyrrolidine-2-carboxylate?
The InChIKey is YGCAPUGEBYVQTG-FXJWSJNKSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-17(27-22(31)19-11-12-21(30)28-19)23(32)29-15-7-13-25(29,20-10-5-6-14-26-20)24(33)34-16-18-8-3-2-4-9-18/h2-6,8-10,14,17,19H,7,11-13,15-16H2,1H3,(H,27,31)(H,28,30)/t17-,19-,25+/m0/s1.
What are the key properties of benzyl (2R)-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-pyridin-2-ylpyrrolidine-2-carboxylate?
benzyl (2R)-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-pyridin-2-ylpyrrolidine-2-carboxylate has a molecular weight of 464.52 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-pyridin-2-ylpyrrolidine-2-carboxylate is sourced from PubChem (CID 18600986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).