[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone

C17H24N2O2 — CID 120787268

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1C1CCCN1C(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C17H24N2O2/c1-12-5-2-3-6-14(12)15-7-4-10-19(15)17(20)16-9-8-13(11-18)21-16/h2-3,5-6,13,15-16H,4,7-11,18H2,1H3/t13-,15?,16+/m1/s1
InChIKeyTVDVLOAONPYTAH-BXCKNWRKSA-N
MW288.39 g/mol
LogP2.16
Rot. Bonds3

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 120787268) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID120787268
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1C1CCCN1C(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C17H24N2O2/c1-12-5-2-3-6-14(12)15-7-4-10-19(15)17(20)16-9-8-13(11-18)21-16/h2-3,5-6,13,15-16H,4,7-11,18H2,1H3/t13-,15?,16+/m1/s1
InChIKeyTVDVLOAONPYTAH-BXCKNWRKSA-N
XLogP2.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 120785176
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120785269
3-amino-2,2-dimethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 115426438
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 120799598
2-(aminomethyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 65227296
[1-(aminomethyl)cyclobutyl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 115448109
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-benzylpiperidin-1-yl)methanone;hydrochloride
CID 120791287
2-(aminomethyl)-2-ethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 115432155
[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 124678566
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-tert-butylpyrrolidin-1-yl)methanone;hydrochloride
CID 120791887
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone (CID 120787268) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccccc1C1CCCN1C(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is TVDVLOAONPYTAH-BXCKNWRKSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-5-2-3-6-14(12)15-7-4-10-19(15)17(20)16-9-8-13(11-18)21-16/h2-3,5-6,13,15-16H,4,7-11,18H2,1H3/t13-,15?,16+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 120787268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).