(2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one

C12H24N2O3 — CID 124721809

IUPAC(2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one
SMILESCOC[C@@H]1CN(C(=O)[C@@H](N)CC(C)C)CCO1
InChIInChI=1S/C12H24N2O3/c1-9(2)6-11(13)12(15)14-4-5-17-10(7-14)8-16-3/h9-11H,4-8,13H2,1-3H3/t10-,11-/m0/s1
InChIKeyAIJUWQLGRSFGEH-QWRGUYRKSA-N
MW244.33 g/mol
LogP0.23
Rot. Bonds5

About (2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one

(2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one (PubChem CID 124721809) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one
PubChem CID124721809
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one
SMILESCOC[C@@H]1CN(C(=O)[C@@H](N)CC(C)C)CCO1
InChIInChI=1S/C12H24N2O3/c1-9(2)6-11(13)12(15)14-4-5-17-10(7-14)8-16-3/h9-11H,4-8,13H2,1-3H3/t10-,11-/m0/s1
InChIKeyAIJUWQLGRSFGEH-QWRGUYRKSA-N
XLogP0.23
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 61148533
(2S)-2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 64596670
4-amino-1-[2-(methoxymethyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120562971
2-amino-1-(2-ethylmorpholin-4-yl)-3-methoxypropan-1-one;hydrochloride
CID 120984960
2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668632
(1-aminocyclopropyl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 119793003
2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)-4-methoxybutan-1-one
CID 114218401
(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one
CID 81203282
(1-aminocyclopentyl)-[(2S)-2-(methoxymethyl)morpholin-4-yl]methanone
CID 125119390
(2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one
CID 119747734
(2S)-2-amino-1-(2-ethylmorpholin-4-yl)hexan-1-one
CID 103831207
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one;dihydrochloride
CID 119793048

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one (CID 124721809) is (2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one is COC[C@@H]1CN(C(=O)[C@@H](N)CC(C)C)CCO1.
What is the InChIKey of (2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one?
The InChIKey is AIJUWQLGRSFGEH-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)6-11(13)12(15)14-4-5-17-10(7-14)8-16-3/h9-11H,4-8,13H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one?
(2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one has a molecular weight of 244.33 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one is sourced from PubChem (CID 124721809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).