[(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate

C10H20N2O3 — CID 118119859

IUPAC[(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate
SMILESCC[C@H](N)C(=O)OC[C@H]1COCCN1C
InChIInChI=1S/C10H20N2O3/c1-3-9(11)10(13)15-7-8-6-14-5-4-12(8)2/h8-9H,3-7,11H2,1-2H3/t8-,9+/m1/s1
InChIKeyIYOHOHVIHXUUJB-BDAKNGLRSA-N
MW216.28 g/mol
LogP-0.40
Rot. Bonds4

About [(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate

[(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate (PubChem CID 118119859) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is [(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate.

Molecular Properties

Compound Name[(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate
PubChem CID118119859
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name[(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate
SMILESCC[C@H](N)C(=O)OC[C@H]1COCCN1C
InChIInChI=1S/C10H20N2O3/c1-3-9(11)10(13)15-7-8-6-14-5-4-12(8)2/h8-9H,3-7,11H2,1-2H3/t8-,9+/m1/s1
InChIKeyIYOHOHVIHXUUJB-BDAKNGLRSA-N
XLogP-0.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-ethyl-4-methylmorpholine
CID 130351596
2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid
CID 63053517
3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid
CID 83819579
[(3S)-4-methylmorpholin-3-yl]methanol
CID 58666450
[(3S)-4-methylmorpholin-3-yl]methanamine
CID 66577079
2-amino-1-(3-ethylmorpholin-4-yl)propan-1-one
CID 43613241
2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774483
1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol
CID 126627764
N-[(4-methylmorpholin-3-yl)methyl]acetamide
CID 10035059
3-(3-ethylmorpholin-4-yl)pentanoic acid
CID 63069337
2-(4-methylmorpholin-3-yl)ethanol
CID 69499703
2-[(3S)-4-methylmorpholin-3-yl]ethanol
CID 155290392

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate?
The IUPAC name of [(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate (CID 118119859) is [(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate.
What is the SMILES notation for [(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate?
The canonical SMILES for [(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate is CC[C@H](N)C(=O)OC[C@H]1COCCN1C.
What is the InChIKey of [(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate?
The InChIKey is IYOHOHVIHXUUJB-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-9(11)10(13)15-7-8-6-14-5-4-12(8)2/h8-9H,3-7,11H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of [(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate?
[(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate has a molecular weight of 216.28 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate is sourced from PubChem (CID 118119859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).