[2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate

C7H14N2O3 — CID 54051430

IUPAC[2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate
SMILESCN(C)C(=O)COC(=O)CCN
InChIInChI=1S/C7H14N2O3/c1-9(2)6(10)5-12-7(11)3-4-8/h3-5,8H2,1-2H3
InChIKeyLTDCTLYNQXGJDA-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.03
Rot. Bonds4

About [2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate

[2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate (PubChem CID 54051430) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate
PubChem CID54051430
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate
SMILESCN(C)C(=O)COC(=O)CCN
InChIInChI=1S/C7H14N2O3/c1-9(2)6(10)5-12-7(11)3-4-8/h3-5,8H2,1-2H3
InChIKeyLTDCTLYNQXGJDA-UHFFFAOYSA-N
XLogP-1.03
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate 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

2-[ethyl(methyl)amino]ethyl 3-aminopropanoate
CID 89304137
[2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 174583979
chloromethyl 4-(dimethylamino)-4-oxobutanoate
CID 19735984
[2-(dimethylamino)-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 7690237
[2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate
CID 23200994
[2-(dimethylamino)-2-oxoethyl] 2-(3-aminophenyl)acetate
CID 62499868
[2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate
CID 8574417
2-acetyloxyethyl 3-aminopropanoate
CID 22321345
[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806952
2-hydroxyethyl 3-aminopropanoate
CID 22321350
N,N-dimethyl-2-trimethylsilyloxyacetamide
CID 102264799
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate
CID 8647741

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate (CID 54051430) is [2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate is CN(C)C(=O)COC(=O)CCN.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate?
The InChIKey is LTDCTLYNQXGJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-9(2)6(10)5-12-7(11)3-4-8/h3-5,8H2,1-2H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate?
[2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate has a molecular weight of 174.20 g/mol, XLogP of -1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate is sourced from PubChem (CID 54051430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).