(2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one

C11H22N2O2 — CID 61148533

IUPAC(2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCOC(C)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)6-10(12)11(14)13-4-5-15-9(3)7-13/h8-10H,4-7,12H2,1-3H3/t9?,10-/m0/s1
InChIKeyMNNFFQXHERUZKL-AXDSSHIGSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds3

About (2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one

(2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one (PubChem CID 61148533) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
PubChem CID61148533
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCOC(C)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)6-10(12)11(14)13-4-5-15-9(3)7-13/h8-10H,4-7,12H2,1-3H3/t9?,10-/m0/s1
InChIKeyMNNFFQXHERUZKL-AXDSSHIGSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 79011523
(2S)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 61148534
(2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one
CID 124721809
2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one
CID 24698951
(2R)-2-amino-3-(4-hydroxyphenyl)-1-(2-methylmorpholin-4-yl)propan-1-one
CID 104904546
(2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one
CID 119747734
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpentan-1-one
CID 102932545
1-[(2S)-2-amino-4-methylpentanoyl]piperidine-3,4-dicarboxylic acid
CID 103931165
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one
CID 102957127
1-(2-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720387
(3S,4S)-1-[(2S)-2-amino-4-methylpentanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98540017
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-1-(2-methylmorpholin-4-yl)propan-1-one
CID 61148329

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one?
The IUPAC name of (2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one (CID 61148533) is (2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one.
What is the SMILES notation for (2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one?
The canonical SMILES for (2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one is CC(C)C[C@H](N)C(=O)N1CCOC(C)C1.
What is the InChIKey of (2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one?
The InChIKey is MNNFFQXHERUZKL-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)6-10(12)11(14)13-4-5-15-9(3)7-13/h8-10H,4-7,12H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one?
(2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one is sourced from PubChem (CID 61148533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).