[2-(methylamino)-2-oxoethyl] propanoate

C6H11NO3 — CID 131176227

IUPAC[2-(methylamino)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)NC
InChIInChI=1S/C6H11NO3/c1-3-6(9)10-4-5(8)7-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyNVLOLUWQSYISMV-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.31
Rot. Bonds3

About [2-(methylamino)-2-oxoethyl] propanoate

[2-(methylamino)-2-oxoethyl] propanoate (PubChem CID 131176227) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] propanoate
PubChem CID131176227
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name[2-(methylamino)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)NC
InChIInChI=1S/C6H11NO3/c1-3-6(9)10-4-5(8)7-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyNVLOLUWQSYISMV-UHFFFAOYSA-N
XLogP-0.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methylamino)-2-oxoethyl] pent-4-enoate
CID 163471503
(2-fluoro-2-oxoethyl) propanoate
CID 172682810
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
silylmethyl propanoate
CID 152513576
ethyl propanoate;tin(2+);dichloride
CID 171374953
2-hydroxyethyl propanoate;propanoic acid
CID 175568032
(2-acetyloxy-2-oxoethyl) propanoate
CID 57195909
sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate
CID 175477931
[2-(methylamino)-2-oxoethyl] prop-2-enoate
CID 141279925
[2-(methoxyamino)-2-oxoethyl] 4-propanoyloxybutanoate
CID 58544134
[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate
CID 7980270
N-methylpropanamide;propane
CID 91316585

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] propanoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] propanoate (CID 131176227) is [2-(methylamino)-2-oxoethyl] propanoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] propanoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] propanoate is CCC(=O)OCC(=O)NC.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] propanoate?
The InChIKey is NVLOLUWQSYISMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-6(9)10-4-5(8)7-2/h3-4H2,1-2H3,(H,7,8).
What are the key properties of [2-(methylamino)-2-oxoethyl] propanoate?
[2-(methylamino)-2-oxoethyl] propanoate has a molecular weight of 145.16 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] propanoate is sourced from PubChem (CID 131176227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).