[(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone

C10H19N3O2 — CID 141468099

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone
SMILESC[C@@H]1CNC[C@H](C(=O)N2CC[C@H](N)C2)O1
InChIInChI=1S/C10H19N3O2/c1-7-4-12-5-9(15-7)10(14)13-3-2-8(11)6-13/h7-9,12H,2-6,11H2,1H3/t7-,8+,9-/m1/s1
InChIKeyONVOYZAWJNRILF-HRDYMLBCSA-N
MW213.28 g/mol
LogP-1.08
Rot. Bonds1

About [(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone

[(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone (PubChem CID 141468099) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone
PubChem CID141468099
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone
SMILESC[C@@H]1CNC[C@H](C(=O)N2CC[C@H](N)C2)O1
InChIInChI=1S/C10H19N3O2/c1-7-4-12-5-9(15-7)10(14)13-3-2-8(11)6-13/h7-9,12H,2-6,11H2,1H3/t7-,8+,9-/m1/s1
InChIKeyONVOYZAWJNRILF-HRDYMLBCSA-N
XLogP-1.08
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone
CID 141468109
[(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride
CID 130804817
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330276
[(3R)-3-aminopyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94339947
[3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330681
(2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945045
(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 114501395
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
5-(3-aminopyrrolidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427081
5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688295
[3-(methylamino)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 115300185
(5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428047

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone (CID 141468099) is [(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone is C[C@@H]1CNC[C@H](C(=O)N2CC[C@H](N)C2)O1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone?
The InChIKey is ONVOYZAWJNRILF-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7-4-12-5-9(15-7)10(14)13-3-2-8(11)6-13/h7-9,12H,2-6,11H2,1H3/t7-,8+,9-/m1/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone?
[(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone has a molecular weight of 213.28 g/mol, XLogP of -1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone is sourced from PubChem (CID 141468099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).