[(3S)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(oxolan-3-yl)pyrrol-3-yl]methanone

C15H23N3O2 — CID 154783710

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(oxolan-3-yl)pyrrol-3-yl]methanone
SMILESCc1cc(C(=O)N2CC[C@H](N)C2)c(C)n1C1CCOC1
InChIInChI=1S/C15H23N3O2/c1-10-7-14(15(19)17-5-3-12(16)8-17)11(2)18(10)13-4-6-20-9-13/h7,12-13H,3-6,8-9,16H2,1-2H3/t12-,13?/m0/s1
InChIKeyRCVNXXSCQIWOQX-UEWDXFNNSA-N
MW277.37 g/mol
LogP1.24
Rot. Bonds2

About [(3S)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(oxolan-3-yl)pyrrol-3-yl]methanone

[(3S)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(oxolan-3-yl)pyrrol-3-yl]methanone (PubChem CID 154783710) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(oxolan-3-yl)pyrrol-3-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(oxolan-3-yl)pyrrol-3-yl]methanone
PubChem CID154783710
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(oxolan-3-yl)pyrrol-3-yl]methanone
SMILESCc1cc(C(=O)N2CC[C@H](N)C2)c(C)n1C1CCOC1
InChIInChI=1S/C15H23N3O2/c1-10-7-14(15(19)17-5-3-12(16)8-17)11(2)18(10)13-4-6-20-9-13/h7,12-13H,3-6,8-9,16H2,1-2H3/t12-,13?/m0/s1
InChIKeyRCVNXXSCQIWOQX-UEWDXFNNSA-N
XLogP1.24
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(oxolan-3-yl)pyrrol-3-yl]methanone with MolForge

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Related Compounds

(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126809350
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone
CID 124611414
[(3S)-3-aminopyrrolidin-1-yl]-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]methanone
CID 124574472
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612763
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612764
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone
CID 120819381
[(3R)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methanone
CID 119413144
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119412128
[(3R)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methanone;hydrochloride
CID 119413143
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 103805029
[(3S)-3-aminopyrrolidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 103816557
2-chloro-1-[2,5-dimethyl-1-(oxan-3-yl)pyrrol-3-yl]ethanone
CID 63361574

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(oxolan-3-yl)pyrrol-3-yl]methanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(oxolan-3-yl)pyrrol-3-yl]methanone (CID 154783710) is [(3S)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(oxolan-3-yl)pyrrol-3-yl]methanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(oxolan-3-yl)pyrrol-3-yl]methanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(oxolan-3-yl)pyrrol-3-yl]methanone is Cc1cc(C(=O)N2CC[C@H](N)C2)c(C)n1C1CCOC1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(oxolan-3-yl)pyrrol-3-yl]methanone?
The InChIKey is RCVNXXSCQIWOQX-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-7-14(15(19)17-5-3-12(16)8-17)11(2)18(10)13-4-6-20-9-13/h7,12-13H,3-6,8-9,16H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(oxolan-3-yl)pyrrol-3-yl]methanone?
[(3S)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(oxolan-3-yl)pyrrol-3-yl]methanone has a molecular weight of 277.37 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(oxolan-3-yl)pyrrol-3-yl]methanone is sourced from PubChem (CID 154783710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).