(2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one

C12H24N2O2 — CID 61172286

IUPAC(2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one
SMILESCCC(C)[C@H](N)C(=O)N1CC(C)OCC1C
InChIInChI=1S/C12H24N2O2/c1-5-8(2)11(13)12(15)14-6-10(4)16-7-9(14)3/h8-11H,5-7,13H2,1-4H3/t8?,9?,10?,11-/m0/s1
InChIKeyKCYXKSDIWJRHDZ-QUBJWBRDSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds3

About (2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one

(2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one (PubChem CID 61172286) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one
PubChem CID61172286
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one
SMILESCCC(C)[C@H](N)C(=O)N1CC(C)OCC1C
InChIInChI=1S/C12H24N2O2/c1-5-8(2)11(13)12(15)14-6-10(4)16-7-9(14)3/h8-11H,5-7,13H2,1-4H3/t8?,9?,10?,11-/m0/s1
InChIKeyKCYXKSDIWJRHDZ-QUBJWBRDSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

LM11A-31
CID 18604758
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
2-Propyl-pentanoic acid (2-morpholin-4-yl-ethyl)-amide
CID 6602917
2-Amino-1-(morpholin-4-yl)butan-1-one
CID 22273198
2-Amino-4-methyl-1-(morpholin-4-YL)pentan-1-one
CID 21355341
2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide dihydrochloride
CID 43810708
(2S)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one
CID 14963842
N-(1-methoxypropan-2-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 45796799
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclopentanecarboxamide
CID 45814746
2,6-Diamino-1-morpholin-4-ylhexan-1-one
CID 118710762
(2S)-2-amino-4-methyl-1-(morpholin-4-yl)pentan-1-one
CID 15342503
2-Amino-4-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-1-one
CID 2939235

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one (CID 61172286) is (2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one is CCC(C)[C@H](N)C(=O)N1CC(C)OCC1C.
What is the InChIKey of (2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one?
The InChIKey is KCYXKSDIWJRHDZ-QUBJWBRDSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-8(2)11(13)12(15)14-6-10(4)16-7-9(14)3/h8-11H,5-7,13H2,1-4H3/t8?,9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one?
(2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one is sourced from PubChem (CID 61172286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).