[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride

C9H17ClN2O3 — CID 130608601

IUPAC[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride
SMILESCl.O=C([C@H]1COCCN1)N1CC[C@H](O)C1
InChIInChI=1S/C9H16N2O3.ClH/c12-7-1-3-11(5-7)9(13)8-6-14-4-2-10-8;/h7-8,10,12H,1-6H2;1H/t7-,8+;/m0./s1
InChIKeyDAPJZCBAKWUBKA-KZYPOYLOSA-N
MW236.70 g/mol
LogP-1.01
Rot. Bonds1

About [(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride

[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride (PubChem CID 130608601) has the molecular formula C9H17ClN2O3 and a molecular weight of 236.70 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride
PubChem CID130608601
Molecular FormulaC9H17ClN2O3
Molecular Weight236.70 g/mol
Exact Mass236.09
IUPAC Name[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride
SMILESCl.O=C([C@H]1COCCN1)N1CC[C@H](O)C1
InChIInChI=1S/C9H16N2O3.ClH/c12-7-1-3-11(5-7)9(13)8-6-14-4-2-10-8;/h7-8,10,12H,1-6H2;1H/t7-,8+;/m0./s1
InChIKeyDAPJZCBAKWUBKA-KZYPOYLOSA-N
XLogP-1.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
(3-ethylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 115740814
morpholin-3-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103812428
morpholin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370424
(3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride
CID 170899766
cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119755465
3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone
CID 114196397
[1-(morpholine-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 119700492
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129368566
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129368564
[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119800759
1-cyclohexyl-3-[1-(morpholine-3-carbonyl)piperidin-4-yl]urea;hydrochloride
CID 119750464

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride?
The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride (CID 130608601) is [(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride.
What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride?
The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride is Cl.O=C([C@H]1COCCN1)N1CC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride?
The InChIKey is DAPJZCBAKWUBKA-KZYPOYLOSA-N. The full InChI is InChI=1S/C9H16N2O3.ClH/c12-7-1-3-11(5-7)9(13)8-6-14-4-2-10-8;/h7-8,10,12H,1-6H2;1H/t7-,8+;/m0./s1.
What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride?
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of -1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 130608601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).