methyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate

C10H19NO4 — CID 14845245

IUPACmethyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
SMILESCOC(=O)CCNCC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(13)7-11-6-5-8(12)14-4/h11H,5-7H2,1-4H3
InChIKeyPWUQRVBCAROKBZ-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.48
Rot. Bonds5

About methyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate

methyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate (PubChem CID 14845245) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
PubChem CID14845245
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
SMILESCOC(=O)CCNCC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(13)7-11-6-5-8(12)14-4/h11H,5-7H2,1-4H3
InChIKeyPWUQRVBCAROKBZ-UHFFFAOYSA-N
XLogP0.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.48
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

DI-T-Butyl iminodiacetate
CID 4393691
Tert-butyl 3-((2-methoxyethyl)amino)propanoate
CID 42656843
Di-tert-butyl 3,3'-Iminodipropionate
CID 10945622
N-(3-Methoxy-3-oxopropyl)-2-methylalanine methyl ester
CID 13601736
Tert-butyl 2-((2-methoxyethyl)amino)acetate
CID 18925475
Methyl 2-((2-(tert-butoxy)-2-oxoethyl)amino)acetate
CID 21643695
Tert-butyl 2-[(2,2-dimethylpropyl)amino]acetate
CID 23102852
Tert-butyl 2-[(butan-2-yl)amino]acetate
CID 54042543
3-((2-(Tert-butoxy)ethyl)amino)propanoic acid
CID 112590553
Ethyl 3-(ethoxycarbonylmethylamino)propionate
CID 281012
Methyl 3-[(2-ethoxyethyl)amino]-2-methylpropanoate
CID 13614327
Methyl 3-[(2-methoxy-2-oxo-ethyl)amino]propanoate
CID 43093191

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate (CID 14845245) is methyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate is COC(=O)CCNCC(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate?
The InChIKey is PWUQRVBCAROKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)7-11-6-5-8(12)14-4/h11H,5-7H2,1-4H3.
What are the key properties of methyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate?
methyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate has a molecular weight of 217.26 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 14845245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).