[(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate

C8H17NO3 — CID 155111213

IUPAC[(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate
SMILESCOCC(=O)O[C@@H](C)CN(C)C
InChIInChI=1S/C8H17NO3/c1-7(5-9(2)3)12-8(10)6-11-4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyOLUYVFGKYDWJCC-ZETCQYMHSA-N
MW175.23 g/mol
LogP0.13
Rot. Bonds5

About [(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate

[(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate (PubChem CID 155111213) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is [(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate.

Molecular Properties

Compound Name[(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate
PubChem CID155111213
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name[(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate
SMILESCOCC(=O)O[C@@H](C)CN(C)C
InChIInChI=1S/C8H17NO3/c1-7(5-9(2)3)12-8(10)6-11-4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyOLUYVFGKYDWJCC-ZETCQYMHSA-N
XLogP0.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(dimethylamino)propan-2-yl 2-hydroxyacetate
CID 175391300
1-(dimethylamino)propan-2-yl butanoate
CID 23423565
1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate
CID 176891960
1-(dimethylamino)propan-2-yl decanoate
CID 25190133
methane;3-methylbutan-2-yl 2-methoxyacetate
CID 162010174
2-[1-(dimethylamino)propan-2-yloxy]acetic acid
CID 138038028
bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 161242191
(4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate
CID 126705697
2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate
CID 159353149
1-cyclopentylethyl 2-methoxyacetate
CID 566178
butan-2-yl 2-(dimethylamino)acetate
CID 134215874
1-(dimethylamino)propan-2-yl 2-(1,4-diazepan-1-yl)acetate
CID 112741380

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate?
The IUPAC name of [(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate (CID 155111213) is [(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate.
What is the SMILES notation for [(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate?
The canonical SMILES for [(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate is COCC(=O)O[C@@H](C)CN(C)C.
What is the InChIKey of [(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate?
The InChIKey is OLUYVFGKYDWJCC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO3/c1-7(5-9(2)3)12-8(10)6-11-4/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of [(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate?
[(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate has a molecular weight of 175.23 g/mol, XLogP of 0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate is sourced from PubChem (CID 155111213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).