cyclopentyl-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]methanone

C27H35N3O4 — CID 10994261

IUPACcyclopentyl-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCC1)[C@@H]1CCCN1C(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)N2CCCC2)c1
InChIInChI=1S/C27H35N3O4/c31-24(19-8-1-2-9-19)22-12-6-16-29(22)25(32)20-10-5-11-21(18-20)26(33)30-17-7-13-23(30)27(34)28-14-3-4-15-28/h5,10-11,18-19,22-23H,1-4,6-9,12-17H2/t22-,23-/m0/s1
InChIKeyLCYAQMDSTIOKJQ-GOTSBHOMSA-N
MW465.59 g/mol
LogP3.28
Rot. Bonds5

About cyclopentyl-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]methanone

cyclopentyl-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]methanone (PubChem CID 10994261) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is cyclopentyl-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]methanone
PubChem CID10994261
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC Namecyclopentyl-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCC1)[C@@H]1CCCN1C(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)N2CCCC2)c1
InChIInChI=1S/C27H35N3O4/c31-24(19-8-1-2-9-19)22-12-6-16-29(22)25(32)20-10-5-11-21(18-20)26(33)30-17-7-13-23(30)27(34)28-14-3-4-15-28/h5,10-11,18-19,22-23H,1-4,6-9,12-17H2/t22-,23-/m0/s1
InChIKeyLCYAQMDSTIOKJQ-GOTSBHOMSA-N
XLogP3.28
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]methanone?
The IUPAC name of cyclopentyl-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]methanone (CID 10994261) is cyclopentyl-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]methanone.
What is the SMILES notation for cyclopentyl-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]methanone?
The canonical SMILES for cyclopentyl-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]methanone is O=C(C1CCCC1)[C@@H]1CCCN1C(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)N2CCCC2)c1.
What is the InChIKey of cyclopentyl-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]methanone?
The InChIKey is LCYAQMDSTIOKJQ-GOTSBHOMSA-N. The full InChI is InChI=1S/C27H35N3O4/c31-24(19-8-1-2-9-19)22-12-6-16-29(22)25(32)20-10-5-11-21(18-20)26(33)30-17-7-13-23(30)27(34)28-14-3-4-15-28/h5,10-11,18-19,22-23H,1-4,6-9,12-17H2/t22-,23-/m0/s1.
What are the key properties of cyclopentyl-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]methanone?
cyclopentyl-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]methanone has a molecular weight of 465.59 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]methanone is sourced from PubChem (CID 10994261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).