[(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-cyclopentylmethanone

C28H36N2O4 — CID 11048892

IUPAC[(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)[C@@H]1CCCN1C(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)C2CCCC2)c1
InChIInChI=1S/C28H36N2O4/c31-25(19-8-1-2-9-19)23-14-6-16-29(23)27(33)21-12-5-13-22(18-21)28(34)30-17-7-15-24(30)26(32)20-10-3-4-11-20/h5,12-13,18-20,23-24H,1-4,6-11,14-17H2/t23-,24-/m0/s1
InChIKeyLBGXXEIDBSNVNA-ZEQRLZLVSA-N
MW464.61 g/mol
LogP4.41
Rot. Bonds6

About [(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-cyclopentylmethanone

[(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-cyclopentylmethanone (PubChem CID 11048892) has the molecular formula C28H36N2O4 and a molecular weight of 464.61 g/mol. Its IUPAC name is [(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-cyclopentylmethanone
PubChem CID11048892
Molecular FormulaC28H36N2O4
Molecular Weight464.61 g/mol
Exact Mass464.27
IUPAC Name[(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)[C@@H]1CCCN1C(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)C2CCCC2)c1
InChIInChI=1S/C28H36N2O4/c31-25(19-8-1-2-9-19)23-14-6-16-29(23)27(33)21-12-5-13-22(18-21)28(34)30-17-7-15-24(30)26(32)20-10-3-4-11-20/h5,12-13,18-20,23-24H,1-4,6-11,14-17H2/t23-,24-/m0/s1
InChIKeyLBGXXEIDBSNVNA-ZEQRLZLVSA-N
XLogP4.41
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-1-((S)-1-(3-((S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl)benzoyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carbonitrile
CID 11071009
(S)-1-{(S)-1-[3-((S)-2-Cyclohexanecarbonyl-pyrrolidine-1-carbonyl)-benzoyl]-pyrrolidine-2-carbonyl}-pyrrolidine-2-carbonitrile
CID 11145576
1-((S)-1-{(S)-1-[3-((S)-2-Cyclopentanecarbonyl-pyrrolidine-1-carbonyl)-benzoyl]-pyrrolidine-2-carbonyl}-pyrrolidin-2-yl)-2-hydroxy-ethanone
CID 11763104
1-((R)-1-{(S)-1-[3-((R)-2-Cyclopentanecarbonyl-pyrrolidine-1-carbonyl)-benzoyl]-pyrrolidine-2-carbonyl}-pyrrolidin-2-yl)-2-hydroxy-ethanone
CID 44359989
(R)-1-{(S)-1-[3-((R)-2-Cyclohexanecarbonyl-pyrrolidine-1-carbonyl)-benzoyl]-pyrrolidine-2-carbonyl}-pyrrolidine-2-carbonitrile
CID 44360008
{4-[(S)-2-(Pyrrolidine-1-carbonyl)-pyrrolidine-1-carbonyl]-phenyl}-[(S)-2-(pyrrolidine-1-carbonyl)-pyrrolidin-1-yl]-methanone
CID 10885135
1-((S)-1-{3-[(S)-2-(Pyrrolidine-1-carbonyl)-pyrrolidine-1-carbonyl]-benzoyl}-pyrrolidin-2-yl)-ethanone
CID 10960601
(S)-1-{(S)-1-[3-((S)-2-Isobutyryl-pyrrolidine-1-carbonyl)-benzoyl]-pyrrolidine-2-carbonyl}-pyrrolidine-2-carbonitrile
CID 10961598
{3-[(S)-2-(Pyrrolidine-1-carbonyl)-pyrrolidine-1-carbonyl]-phenyl}-[(S)-2-(pyrrolidine-1-carbonyl)-pyrrolidin-1-yl]-methanone
CID 10983495
(S)-1-{(S)-1-[3-((S)-2-Acetyl-pyrrolidine-1-carbonyl)-benzoyl]-pyrrolidine-2-carbonyl}-pyrrolidine-2-carbonitrile
CID 10993820
((S)-2-Cyclopentanecarbonyl-pyrrolidin-1-yl)-{3-[(S)-2-(pyrrolidine-1-carbonyl)-pyrrolidine-1-carbonyl]-phenyl}-methanone
CID 10994261
(S)-1-((S)-1-{3-[(S)-2-(Pyrrolidine-1-carbonyl)-pyrrolidine-1-carbonyl]-benzoyl}-pyrrolidine-2-carbonyl)-pyrrolidine-2-carbonitrile
CID 10994592

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-cyclopentylmethanone?
The IUPAC name of [(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-cyclopentylmethanone (CID 11048892) is [(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-cyclopentylmethanone.
What is the SMILES notation for [(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-cyclopentylmethanone?
The canonical SMILES for [(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-cyclopentylmethanone is O=C(C1CCCC1)[C@@H]1CCCN1C(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)C2CCCC2)c1.
What is the InChIKey of [(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-cyclopentylmethanone?
The InChIKey is LBGXXEIDBSNVNA-ZEQRLZLVSA-N. The full InChI is InChI=1S/C28H36N2O4/c31-25(19-8-1-2-9-19)23-14-6-16-29(23)27(33)21-12-5-13-22(18-21)28(34)30-17-7-15-24(30)26(32)20-10-3-4-11-20/h5,12-13,18-20,23-24H,1-4,6-11,14-17H2/t23-,24-/m0/s1.
What are the key properties of [(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-cyclopentylmethanone?
[(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-cyclopentylmethanone has a molecular weight of 464.61 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-cyclopentylmethanone is sourced from PubChem (CID 11048892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).