2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one

C12H24N2O3 — CID 81203652

IUPAC2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C12H24N2O3/c1-4-8(2)11(13)12(16)14-5-10(6-15)17-7-9(14)3/h8-11,15H,4-7,13H2,1-3H3
InChIKeyYAKPGJNCVBZWHI-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.03
Rot. Bonds4

About 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one

2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one (PubChem CID 81203652) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one
PubChem CID81203652
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C12H24N2O3/c1-4-8(2)11(13)12(16)14-5-10(6-15)17-7-9(14)3/h8-11,15H,4-7,13H2,1-3H3
InChIKeyYAKPGJNCVBZWHI-UHFFFAOYSA-N
XLogP-0.03
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one
CID 61172286
(2S)-2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 107146080
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 114898820
3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 81203659
ethyl 2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3,3-dimethylbutanoate
CID 116538210
2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pentanethioamide
CID 81203582
(2S)-2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 81203478
(2S,3S)-2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-3-methylpentanoic acid
CID 81204288
(2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 81203815
N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pentanimidamide
CID 81208282
1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide
CID 61173936
2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 106312554

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one?
The IUPAC name of 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one (CID 81203652) is 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one is CCC(C)C(N)C(=O)N1CC(CO)OCC1C.
What is the InChIKey of 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one?
The InChIKey is YAKPGJNCVBZWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-8(2)11(13)12(16)14-5-10(6-15)17-7-9(14)3/h8-11,15H,4-7,13H2,1-3H3.
What are the key properties of 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one?
2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one has a molecular weight of 244.33 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one is sourced from PubChem (CID 81203652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).