(2S,4S)-1-cyclopentyl-4-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-ethylpyrrolidine-2-carboxamide

C19H31N5O2 — CID 72844763

IUPAC(2S,4S)-1-cyclopentyl-4-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)Cn2cnc(C)c2C)CN1C1CCCC1
InChIInChI=1S/C19H31N5O2/c1-4-20-19(26)17-9-15(10-24(17)16-7-5-6-8-16)22-18(25)11-23-12-21-13(2)14(23)3/h12,15-17H,4-11H2,1-3H3,(H,20,26)(H,22,25)/t15-,17-/m0/s1
InChIKeySMLOLHIBGRZCLE-RDJZCZTQSA-N
MW361.49 g/mol
LogP1.14
Rot. Bonds6

About (2S,4S)-1-cyclopentyl-4-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-ethylpyrrolidine-2-carboxamide

(2S,4S)-1-cyclopentyl-4-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-ethylpyrrolidine-2-carboxamide (PubChem CID 72844763) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (2S,4S)-1-cyclopentyl-4-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-cyclopentyl-4-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-ethylpyrrolidine-2-carboxamide
PubChem CID72844763
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name(2S,4S)-1-cyclopentyl-4-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)Cn2cnc(C)c2C)CN1C1CCCC1
InChIInChI=1S/C19H31N5O2/c1-4-20-19(26)17-9-15(10-24(17)16-7-5-6-8-16)22-18(25)11-23-12-21-13(2)14(23)3/h12,15-17H,4-11H2,1-3H3,(H,20,26)(H,22,25)/t15-,17-/m0/s1
InChIKeySMLOLHIBGRZCLE-RDJZCZTQSA-N
XLogP1.14
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-cyclopentyl-4-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-ethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-cyclopentyl-4-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-ethylpyrrolidine-2-carboxamide (CID 72844763) is (2S,4S)-1-cyclopentyl-4-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-cyclopentyl-4-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-cyclopentyl-4-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-ethylpyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)Cn2cnc(C)c2C)CN1C1CCCC1.
What is the InChIKey of (2S,4S)-1-cyclopentyl-4-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-ethylpyrrolidine-2-carboxamide?
The InChIKey is SMLOLHIBGRZCLE-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-4-20-19(26)17-9-15(10-24(17)16-7-5-6-8-16)22-18(25)11-23-12-21-13(2)14(23)3/h12,15-17H,4-11H2,1-3H3,(H,20,26)(H,22,25)/t15-,17-/m0/s1.
What are the key properties of (2S,4S)-1-cyclopentyl-4-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-ethylpyrrolidine-2-carboxamide?
(2S,4S)-1-cyclopentyl-4-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-ethylpyrrolidine-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-cyclopentyl-4-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 72844763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).