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

C26H34N4O4 — CID 10983495

IUPAC[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CCCN1C(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)N2CCCC2)c1)N1CCCC1
InChIInChI=1S/C26H34N4O4/c31-23(29-16-6-10-21(29)25(33)27-12-1-2-13-27)19-8-5-9-20(18-19)24(32)30-17-7-11-22(30)26(34)28-14-3-4-15-28/h5,8-9,18,21-22H,1-4,6-7,10-17H2/t21-,22-/m0/s1
InChIKeyNTEGSSAULYKOQI-VXKWHMMOSA-N
MW466.58 g/mol
LogP2.14
Rot. Bonds4

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

[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 10983495) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is [(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID10983495
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CCCN1C(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)N2CCCC2)c1)N1CCCC1
InChIInChI=1S/C26H34N4O4/c31-23(29-16-6-10-21(29)25(33)27-12-1-2-13-27)19-8-5-9-20(18-19)24(32)30-17-7-11-22(30)26(34)28-14-3-4-15-28/h5,8-9,18,21-22H,1-4,6-7,10-17H2/t21-,22-/m0/s1
InChIKeyNTEGSSAULYKOQI-VXKWHMMOSA-N
XLogP2.14
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxy-1-[(S)-1-((S)-1-{3-[(S)-2-(pyrrolidine-1-carbonyl)-pyrrolidine-1-carbonyl]-benzoyl}-pyrrolidine-2-carbonyl)-pyrrolidin-2-yl]-ethanone
CID 10875058
(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
2-Hydroxy-1-[1-(1-{3-[2-(pyrrolidine-1-carbonyl)-pyrrolidine-1-carbonyl]-benzoyl}-pyrrolidine-2-carbonyl)-pyrrolidin-2-yl]-ethanone
CID 44360531
2-{4-Oxo-4-[(2S)-2-(pyrrolidinocarbonyl)pyrrolidin-1-yl]butyl}-1H-isoindole-1,3(2H)-dione
CID 20640031
[3-(4-Pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 73334067
{4-[(S)-2-(Pyrrolidine-1-carbonyl)-pyrrolidine-1-carbonyl]-phenyl}-[(S)-2-(pyrrolidine-1-carbonyl)-pyrrolidin-1-yl]-methanone
CID 10885135
4-((S)-1-{3-[(S)-2-(Pyrrolidine-1-carbonyl)-pyrrolidine-1-carbonyl]-benzoyl}-pyrrolidine-2-carbonyl)-piperazine-1-carboxylic acid tert-butyl ester
CID 10897180
1-((S)-1-{3-[(S)-2-(Pyrrolidine-1-carbonyl)-pyrrolidine-1-carbonyl]-benzoyl}-pyrrolidin-2-yl)-ethanone
CID 10960601

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (CID 10983495) is [(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is O=C([C@@H]1CCCN1C(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)N2CCCC2)c1)N1CCCC1.
What is the InChIKey of [(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NTEGSSAULYKOQI-VXKWHMMOSA-N. The full InChI is InChI=1S/C26H34N4O4/c31-23(29-16-6-10-21(29)25(33)27-12-1-2-13-27)19-8-5-9-20(18-19)24(32)30-17-7-11-22(30)26(34)28-14-3-4-15-28/h5,8-9,18,21-22H,1-4,6-7,10-17H2/t21-,22-/m0/s1.
What are the key properties of [(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 466.58 g/mol, XLogP of 2.14, 4 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-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 10983495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).