(2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride

C10H20ClN3O2 — CID 120873057

IUPAC(2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CC2OCCN(C)C2C1.Cl
InChIInChI=1S/C10H19N3O2.ClH/c1-7(11)10(14)13-5-8-9(6-13)15-4-3-12(8)2;/h7-9H,3-6,11H2,1-2H3;1H/t7-,8?,9?;/m1./s1
InChIKeyNGTBDQPPLNOYLI-CHHXHTNCSA-N
MW249.74 g/mol
LogP-0.70
Rot. Bonds1

About (2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride

(2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride (PubChem CID 120873057) has the molecular formula C10H20ClN3O2 and a molecular weight of 249.74 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride
PubChem CID120873057
Molecular FormulaC10H20ClN3O2
Molecular Weight249.74 g/mol
Exact Mass249.12
IUPAC Name(2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CC2OCCN(C)C2C1.Cl
InChIInChI=1S/C10H19N3O2.ClH/c1-7(11)10(14)13-5-8-9(6-13)15-4-3-12(8)2;/h7-9H,3-6,11H2,1-2H3;1H/t7-,8?,9?;/m1./s1
InChIKeyNGTBDQPPLNOYLI-CHHXHTNCSA-N
XLogP-0.70
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride with MolForge

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Related Compounds

2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one
CID 131134178
benzyl (4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxylate
CID 163270264
(4aS,7aR)-4,6-dimethyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 90339163
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 156637210
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 122361126
(2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 119899591
(2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride
CID 120873110
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79181117
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one
CID 106669235
(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602
1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one
CID 122084613

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride (CID 120873057) is (2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride is C[C@@H](N)C(=O)N1CC2OCCN(C)C2C1.Cl.
What is the InChIKey of (2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride?
The InChIKey is NGTBDQPPLNOYLI-CHHXHTNCSA-N. The full InChI is InChI=1S/C10H19N3O2.ClH/c1-7(11)10(14)13-5-8-9(6-13)15-4-3-12(8)2;/h7-9H,3-6,11H2,1-2H3;1H/t7-,8?,9?;/m1./s1.
What are the key properties of (2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride?
(2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of -0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120873057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).