4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide

C27H41N3O4 — CID 70337635

IUPAC4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
SMILESCCCCCN1CC(C(=O)NC[C@H](O)[C@H]2C[C@@H](Oc3ccccc3)CN2)C(C2CCCC2)C1=O
InChIInChI=1S/C27H41N3O4/c1-2-3-9-14-30-18-22(25(27(30)33)19-10-7-8-11-19)26(32)29-17-24(31)23-15-21(16-28-23)34-20-12-5-4-6-13-20/h4-6,12-13,19,21-25,28,31H,2-3,7-11,14-18H2,1H3,(H,29,32)/t21-,22?,23-,24+,25?/m1/s1
InChIKeyCNVCWMXIIAZBBA-MNRJOPBOSA-N
MW471.64 g/mol
LogP2.73
Rot. Bonds11

About 4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide

4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide (PubChem CID 70337635) has the molecular formula C27H41N3O4 and a molecular weight of 471.64 g/mol. Its IUPAC name is 4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
PubChem CID70337635
Molecular FormulaC27H41N3O4
Molecular Weight471.64 g/mol
Exact Mass471.31
IUPAC Name4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
SMILESCCCCCN1CC(C(=O)NC[C@H](O)[C@H]2C[C@@H](Oc3ccccc3)CN2)C(C2CCCC2)C1=O
InChIInChI=1S/C27H41N3O4/c1-2-3-9-14-30-18-22(25(27(30)33)19-10-7-8-11-19)26(32)29-17-24(31)23-15-21(16-28-23)34-20-12-5-4-6-13-20/h4-6,12-13,19,21-25,28,31H,2-3,7-11,14-18H2,1H3,(H,29,32)/t21-,22?,23-,24+,25?/m1/s1
InChIKeyCNVCWMXIIAZBBA-MNRJOPBOSA-N
XLogP2.73
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.64
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide 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 4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide?
The IUPAC name of 4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide (CID 70337635) is 4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide is CCCCCN1CC(C(=O)NC[C@H](O)[C@H]2C[C@@H](Oc3ccccc3)CN2)C(C2CCCC2)C1=O.
What is the InChIKey of 4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide?
The InChIKey is CNVCWMXIIAZBBA-MNRJOPBOSA-N. The full InChI is InChI=1S/C27H41N3O4/c1-2-3-9-14-30-18-22(25(27(30)33)19-10-7-8-11-19)26(32)29-17-24(31)23-15-21(16-28-23)34-20-12-5-4-6-13-20/h4-6,12-13,19,21-25,28,31H,2-3,7-11,14-18H2,1H3,(H,29,32)/t21-,22?,23-,24+,25?/m1/s1.
What are the key properties of 4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide?
4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide has a molecular weight of 471.64 g/mol, XLogP of 2.73, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide is sourced from PubChem (CID 70337635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).