(2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile

C27H40N4O4 — CID 10863838

IUPAC(2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
SMILESCC(C)(CC(=O)N1CCC[C@H]1C(=O)C1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C27H40N4O4/c1-27(2,16-23(32)30-14-6-11-21(30)25(34)19-8-3-4-9-19)17-24(33)31-15-7-12-22(31)26(35)29-13-5-10-20(29)18-28/h19-22H,3-17H2,1-2H3/t20-,21-,22-/m0/s1
InChIKeyPEVGIVZSPHBGQR-FKBYEOEOSA-N
MW484.64 g/mol
LogP3.05
Rot. Bonds7

About (2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile

(2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile (PubChem CID 10863838) has the molecular formula C27H40N4O4 and a molecular weight of 484.64 g/mol. Its IUPAC name is (2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
PubChem CID10863838
Molecular FormulaC27H40N4O4
Molecular Weight484.64 g/mol
Exact Mass484.30
IUPAC Name(2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
SMILESCC(C)(CC(=O)N1CCC[C@H]1C(=O)C1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C27H40N4O4/c1-27(2,16-23(32)30-14-6-11-21(30)25(34)19-8-3-4-9-19)17-24(33)31-15-7-12-22(31)26(35)29-13-5-10-20(29)18-28/h19-22H,3-17H2,1-2H3/t20-,21-,22-/m0/s1
InChIKeyPEVGIVZSPHBGQR-FKBYEOEOSA-N
XLogP3.05
TPSA101.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile with MolForge

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Related Compounds

3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione
CID 10928641
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 10861156
(2S)-1-[(2R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 67757838
1-(2-iodoacetyl)pyrrolidine-2-carbonitrile
CID 67599806
tert-butyl (2R)-2-cyanopiperidine-1-carboxylate
CID 7019482
(2S)-1-acetylazepane-2-carbonitrile
CID 125042026
(2S)-1-[(2S,5S)-5-(hydroxymethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 11652956
(2S)-1-[(2S)-1-[2-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 11406756
(2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile
CID 90655547
1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 91248515
1-(2-bromoacetyl)pyrrolidine-2-carbonitrile;propane
CID 142254427
(3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 95332251

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile (CID 10863838) is (2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile is CC(C)(CC(=O)N1CCC[C@H]1C(=O)C1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N.
What is the InChIKey of (2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The InChIKey is PEVGIVZSPHBGQR-FKBYEOEOSA-N. The full InChI is InChI=1S/C27H40N4O4/c1-27(2,16-23(32)30-14-6-11-21(30)25(34)19-8-3-4-9-19)17-24(33)31-15-7-12-22(31)26(35)29-13-5-10-20(29)18-28/h19-22H,3-17H2,1-2H3/t20-,21-,22-/m0/s1.
What are the key properties of (2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
(2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile has a molecular weight of 484.64 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 10863838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).