(3S)-1-[(2S)-3-(morpholin-4-ylamino)-2-phenylpropyl]pyrrolidin-3-ol

C17H27N3O2 — CID 57022897

IUPAC(3S)-1-[(2S)-3-(morpholin-4-ylamino)-2-phenylpropyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(C[C@@H](CNN2CCOCC2)c2ccccc2)C1
InChIInChI=1S/C17H27N3O2/c21-17-6-7-19(14-17)13-16(15-4-2-1-3-5-15)12-18-20-8-10-22-11-9-20/h1-5,16-18,21H,6-14H2/t16-,17+/m1/s1
InChIKeyXSKVMIQMXYQKMJ-SJORKVTESA-N
MW305.42 g/mol
LogP0.67
Rot. Bonds6

About (3S)-1-[(2S)-3-(morpholin-4-ylamino)-2-phenylpropyl]pyrrolidin-3-ol

(3S)-1-[(2S)-3-(morpholin-4-ylamino)-2-phenylpropyl]pyrrolidin-3-ol (PubChem CID 57022897) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (3S)-1-[(2S)-3-(morpholin-4-ylamino)-2-phenylpropyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(2S)-3-(morpholin-4-ylamino)-2-phenylpropyl]pyrrolidin-3-ol
PubChem CID57022897
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(3S)-1-[(2S)-3-(morpholin-4-ylamino)-2-phenylpropyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(C[C@@H](CNN2CCOCC2)c2ccccc2)C1
InChIInChI=1S/C17H27N3O2/c21-17-6-7-19(14-17)13-16(15-4-2-1-3-5-15)12-18-20-8-10-22-11-9-20/h1-5,16-18,21H,6-14H2/t16-,17+/m1/s1
InChIKeyXSKVMIQMXYQKMJ-SJORKVTESA-N
XLogP0.67
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
CID 18939029
(3S)-1-[2-(2,2-dimethoxyethylamino)-2-phenylethyl]pyrrolidin-3-ol
CID 70341809
(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride
CID 23594216
1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
CID 62943227
[(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87107217
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride
CID 68537889
benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate
CID 106484119
1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol
CID 56662037
1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol
CID 62619132
1-(morpholin-4-ylamino)-3-phenoxypropan-2-ol
CID 83021932
(3S)-1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol
CID 67673345
2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol
CID 56688049

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-3-(morpholin-4-ylamino)-2-phenylpropyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(2S)-3-(morpholin-4-ylamino)-2-phenylpropyl]pyrrolidin-3-ol (CID 57022897) is (3S)-1-[(2S)-3-(morpholin-4-ylamino)-2-phenylpropyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(2S)-3-(morpholin-4-ylamino)-2-phenylpropyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(2S)-3-(morpholin-4-ylamino)-2-phenylpropyl]pyrrolidin-3-ol is O[C@H]1CCN(C[C@@H](CNN2CCOCC2)c2ccccc2)C1.
What is the InChIKey of (3S)-1-[(2S)-3-(morpholin-4-ylamino)-2-phenylpropyl]pyrrolidin-3-ol?
The InChIKey is XSKVMIQMXYQKMJ-SJORKVTESA-N. The full InChI is InChI=1S/C17H27N3O2/c21-17-6-7-19(14-17)13-16(15-4-2-1-3-5-15)12-18-20-8-10-22-11-9-20/h1-5,16-18,21H,6-14H2/t16-,17+/m1/s1.
What are the key properties of (3S)-1-[(2S)-3-(morpholin-4-ylamino)-2-phenylpropyl]pyrrolidin-3-ol?
(3S)-1-[(2S)-3-(morpholin-4-ylamino)-2-phenylpropyl]pyrrolidin-3-ol has a molecular weight of 305.42 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-3-(morpholin-4-ylamino)-2-phenylpropyl]pyrrolidin-3-ol is sourced from PubChem (CID 57022897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).