[(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide

C15H23N2O- — CID 87107217

IUPAC[(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
SMILESC[N-][C@@H](c1ccccc1)[C@@H](C)CN1CC[C@H](O)C1
InChIInChI=1S/C15H23N2O/c1-12(10-17-9-8-14(18)11-17)15(16-2)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3/q-1/t12-,14-,15+/m0/s1
InChIKeyMGXMGIVLUYGFSN-AEGPPILISA-N
MW247.36 g/mol
LogP2.43
Rot. Bonds5

About [(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide

[(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide (PubChem CID 87107217) has the molecular formula C15H23N2O- and a molecular weight of 247.36 g/mol. Its IUPAC name is [(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide.

Molecular Properties

Compound Name[(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
PubChem CID87107217
Molecular FormulaC15H23N2O-
Molecular Weight247.36 g/mol
Exact Mass247.18
IUPAC Name[(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
SMILESC[N-][C@@H](c1ccccc1)[C@@H](C)CN1CC[C@H](O)C1
InChIInChI=1S/C15H23N2O/c1-12(10-17-9-8-14(18)11-17)15(16-2)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3/q-1/t12-,14-,15+/m0/s1
InChIKeyMGXMGIVLUYGFSN-AEGPPILISA-N
XLogP2.43
TPSA37.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87106761
methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide
CID 87106535
1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
CID 18939029
(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride
CID 23594216
1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol
CID 62619132
(3S)-1-[2-(2,2-dimethoxyethylamino)-2-phenylethyl]pyrrolidin-3-ol
CID 70341809
1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
CID 62943227
[(1R,2R)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87106744
[(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87107130
1-(2-phenylpropyl)azetidin-3-ol
CID 121200321
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
(3R)-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66291662

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide?
The IUPAC name of [(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide (CID 87107217) is [(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide.
What is the SMILES notation for [(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide?
The canonical SMILES for [(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide is C[N-][C@@H](c1ccccc1)[C@@H](C)CN1CC[C@H](O)C1.
What is the InChIKey of [(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide?
The InChIKey is MGXMGIVLUYGFSN-AEGPPILISA-N. The full InChI is InChI=1S/C15H23N2O/c1-12(10-17-9-8-14(18)11-17)15(16-2)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3/q-1/t12-,14-,15+/m0/s1.
What are the key properties of [(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide?
[(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide has a molecular weight of 247.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide is sourced from PubChem (CID 87107217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).