methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate

C8H15NO3 — CID 28880549

IUPACmethyl 2-[(2S)-2-methylmorpholin-4-yl]acetate
SMILESCOC(=O)CN1CCO[C@@H](C)C1
InChIInChI=1S/C8H15NO3/c1-7-5-9(3-4-12-7)6-8(10)11-2/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyDIACUVBOIIKNKZ-ZETCQYMHSA-N
MW173.21 g/mol
LogP-0.12
Rot. Bonds2

About methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate

methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate (PubChem CID 28880549) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-2-methylmorpholin-4-yl]acetate
PubChem CID28880549
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-[(2S)-2-methylmorpholin-4-yl]acetate
SMILESCOC(=O)CN1CCO[C@@H](C)C1
InChIInChI=1S/C8H15NO3/c1-7-5-9(3-4-12-7)6-8(10)11-2/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyDIACUVBOIIKNKZ-ZETCQYMHSA-N
XLogP-0.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,6-dimethylmorpholin-4-yl)acetate
CID 22198251
N-carbamoyl-2-(2-methylmorpholin-4-yl)acetamide
CID 134055258
N-(2-hydroxyethyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 43509621
methyl 2-morpholin-4-ylacetate
CID 1268178
N-(tert-butylcarbamoyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 46673900
N-methyl-3-(2-methylmorpholin-4-yl)propanamide
CID 131041683
2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 17442487
N-[bis(4-methoxyphenyl)methyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 30263510
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
CID 63365238
methyl 4-(2-ethoxy-2-oxoethyl)morpholine-2-carboxylate
CID 78927241
methyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate
CID 63029546
1-(4-bromophenyl)-2-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 92858348

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate?
The IUPAC name of methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate (CID 28880549) is methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate is COC(=O)CN1CCO[C@@H](C)C1.
What is the InChIKey of methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate?
The InChIKey is DIACUVBOIIKNKZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7-5-9(3-4-12-7)6-8(10)11-2/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate?
methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate has a molecular weight of 173.21 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate is sourced from PubChem (CID 28880549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).