methyl 3-[(2-methoxy-2-oxoethyl)amino]propanoate

C7H13NO4 — CID 43093191

IUPACmethyl 3-[(2-methoxy-2-oxoethyl)amino]propanoate
SMILESCOC(=O)CCNCC(=O)OC
InChIInChI=1S/C7H13NO4/c1-11-6(9)3-4-8-5-7(10)12-2/h8H,3-5H2,1-2H3
InChIKeyUYDPDQCBAMIHFV-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.69
Rot. Bonds5

About methyl 3-[(2-methoxy-2-oxoethyl)amino]propanoate

methyl 3-[(2-methoxy-2-oxoethyl)amino]propanoate (PubChem CID 43093191) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is methyl 3-[(2-methoxy-2-oxoethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxy-2-oxoethyl)amino]propanoate
PubChem CID43093191
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namemethyl 3-[(2-methoxy-2-oxoethyl)amino]propanoate
SMILESCOC(=O)CCNCC(=O)OC
InChIInChI=1S/C7H13NO4/c1-11-6(9)3-4-8-5-7(10)12-2/h8H,3-5H2,1-2H3
InChIKeyUYDPDQCBAMIHFV-UHFFFAOYSA-N
XLogP-0.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Methyl (propionylamino)acetate
CID 533879
Methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate
CID 428827
Ethyl 2-(propylamino)acetate
CID 13454968
Methyl 2-((butan-2-yl)amino)acetate
CID 43177489
Methyl 3-((2-(tert-butoxy)-2-oxoethyl)amino)propanoate
CID 14845245
Methyl 3-[(2-methoxyethyl)amino]propanoate
CID 28307088
Methyl N-ethylglycinate
CID 12591596
Methyl N-ethyl-beta-alaninate
CID 76973
N-(3-Methoxy-3-oxopropyl)-2-methylalanine methyl ester
CID 13601736
Methyl 2-(cyclopropylamino)propanoate
CID 50989096
Methyl 2-(ethylamino)propanoate
CID 53407612
(R)-beta-alanopine(1-)
CID 46224565

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxy-2-oxoethyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-methoxy-2-oxoethyl)amino]propanoate (CID 43093191) is methyl 3-[(2-methoxy-2-oxoethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-methoxy-2-oxoethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-methoxy-2-oxoethyl)amino]propanoate is COC(=O)CCNCC(=O)OC.
What is the InChIKey of methyl 3-[(2-methoxy-2-oxoethyl)amino]propanoate?
The InChIKey is UYDPDQCBAMIHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-11-6(9)3-4-8-5-7(10)12-2/h8H,3-5H2,1-2H3.
What are the key properties of methyl 3-[(2-methoxy-2-oxoethyl)amino]propanoate?
methyl 3-[(2-methoxy-2-oxoethyl)amino]propanoate has a molecular weight of 175.18 g/mol, XLogP of -0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxy-2-oxoethyl)amino]propanoate is sourced from PubChem (CID 43093191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).