(2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one

C12H24N2O3 — CID 102932602

IUPAC(2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one
SMILESCC1CN(C(=O)[C@H](N)C(C)(C)C)CC(CO)O1
InChIInChI=1S/C12H24N2O3/c1-8-5-14(6-9(7-15)17-8)11(16)10(13)12(2,3)4/h8-10,15H,5-7,13H2,1-4H3/t8?,9?,10-/m0/s1
InChIKeyBRHGMAWCYMAWOG-RTBKNWGFSA-N
MW244.33 g/mol
LogP-0.03
Rot. Bonds2

About (2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one

(2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one (PubChem CID 102932602) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one
PubChem CID102932602
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one
SMILESCC1CN(C(=O)[C@H](N)C(C)(C)C)CC(CO)O1
InChIInChI=1S/C12H24N2O3/c1-8-5-14(6-9(7-15)17-8)11(16)10(13)12(2,3)4/h8-10,15H,5-7,13H2,1-4H3/t8?,9?,10-/m0/s1
InChIKeyBRHGMAWCYMAWOG-RTBKNWGFSA-N
XLogP-0.03
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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

2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpentan-1-one
CID 102932545
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one
CID 102932547
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one
CID 102932657
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one
CID 102932507
5-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylpentan-1-one
CID 102932727
3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102932658
tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 146664765
(2S)-2-amino-3,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)butan-1-one;hydrochloride
CID 119771958
(2S)-2-amino-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 107220766
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
(1-aminocyclopropyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932645

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one (CID 102932602) is (2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one is CC1CN(C(=O)[C@H](N)C(C)(C)C)CC(CO)O1.
What is the InChIKey of (2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one?
The InChIKey is BRHGMAWCYMAWOG-RTBKNWGFSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8-5-14(6-9(7-15)17-8)11(16)10(13)12(2,3)4/h8-10,15H,5-7,13H2,1-4H3/t8?,9?,10-/m0/s1.
What are the key properties of (2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one?
(2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one has a molecular weight of 244.33 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 102932602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).