methyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate

C14H30N2O6 — CID 91112256

IUPACmethyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate
SMILESCOC(=O)CC(OC)N(C)C.COCC(C(=O)OC)N(C)C
InChIInChI=1S/2C7H15NO3/c1-8(2)6(5-10-3)7(9)11-4;1-8(2)6(10-3)5-7(9)11-4/h2*6H,5H2,1-4H3
InChIKeyAHOQENJHFDZFML-UHFFFAOYSA-N
MW322.40 g/mol
LogP-0.18
Rot. Bonds8

About methyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate

methyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate (PubChem CID 91112256) has the molecular formula C14H30N2O6 and a molecular weight of 322.40 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate
PubChem CID91112256
Molecular FormulaC14H30N2O6
Molecular Weight322.40 g/mol
Exact Mass322.21
IUPAC Namemethyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate
SMILESCOC(=O)CC(OC)N(C)C.COCC(C(=O)OC)N(C)C
InChIInChI=1S/2C7H15NO3/c1-8(2)6(5-10-3)7(9)11-4;1-8(2)6(10-3)5-7(9)11-4/h2*6H,5H2,1-4H3
InChIKeyAHOQENJHFDZFML-UHFFFAOYSA-N
XLogP-0.18
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(dimethylamino)-3-methoxypropanoate
CID 59922480
dimethyl 2-phosphanylbutanedioate
CID 57266092
methyl 2-(dimethylamino)butanoate
CID 14644900
methyl (3S)-3-amino-4-methoxybutanoate
CID 53259996
dimethyl (2S)-2-(diethylamino)butanedioate
CID 7060831
methyl 4-methoxy-3-(methoxymethyl)butanoate
CID 170299340
dimethyl 3-(methoxymethyl)pentanedioate
CID 141473714
dimethyl 2-[2,2-dimethoxyethoxysilyl(propyl)amino]butanedioate
CID 154110369
dimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate
CID 154101002
acetic acid;methyl (3S)-3-amino-4-methoxybutanoate
CID 53259995
dimethyl 2-[(dimethylamino)methyl]butanedioate
CID 11106437
dimethyl (2R)-2-aminobutanedioate
CID 6994535

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate?
The IUPAC name of methyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate (CID 91112256) is methyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate.
What is the SMILES notation for methyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate?
The canonical SMILES for methyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate is COC(=O)CC(OC)N(C)C.COCC(C(=O)OC)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate?
The InChIKey is AHOQENJHFDZFML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15NO3/c1-8(2)6(5-10-3)7(9)11-4;1-8(2)6(10-3)5-7(9)11-4/h2*6H,5H2,1-4H3.
What are the key properties of methyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate?
methyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate has a molecular weight of 322.40 g/mol, XLogP of -0.18, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate is sourced from PubChem (CID 91112256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).