tert-butyl formate;methyl 3-(methylamino)propanoate

C10H21NO4 — CID 178136368

IUPACtert-butyl formate;methyl 3-(methylamino)propanoate
SMILESCC(C)(C)OC=O.CNCCC(=O)OC
InChIInChI=1S/C5H11NO2.C5H10O2/c1-6-4-3-5(7)8-2;1-5(2,3)7-4-6/h6H,3-4H2,1-2H3;4H,1-3H3
InChIKeyMYQMNCJEXVYKCZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.73
Rot. Bonds4

About tert-butyl formate;methyl 3-(methylamino)propanoate

tert-butyl formate;methyl 3-(methylamino)propanoate (PubChem CID 178136368) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl formate;methyl 3-(methylamino)propanoate.

Molecular Properties

Compound Nametert-butyl formate;methyl 3-(methylamino)propanoate
PubChem CID178136368
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nametert-butyl formate;methyl 3-(methylamino)propanoate
SMILESCC(C)(C)OC=O.CNCCC(=O)OC
InChIInChI=1S/C5H11NO2.C5H10O2/c1-6-4-3-5(7)8-2;1-5(2,3)7-4-6/h6H,3-4H2,1-2H3;4H,1-3H3
InChIKeyMYQMNCJEXVYKCZ-UHFFFAOYSA-N
XLogP0.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl formate;ethane;2-methoxy-N-methylethanamine
CID 144580740
methyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate
CID 58052069
tert-butyl formate;1,2-dimethoxyethane
CID 174865662
methyl 3-formyloxy-3-methylbutanoate
CID 22368434
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
tert-butyl formate;methanamine;4-methoxybutan-2-one
CID 163253755
methyl 3-[(3-hydroxy-3-methylbutyl)amino]propanoate
CID 79360276
methyl 3-(4-formylanilino)propanoate
CID 21163305
methyl 4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 60926530
CID 140682413
CID 140682413
tert-butyl formate;cyclononane
CID 174460222
methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54383502

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;methyl 3-(methylamino)propanoate?
The IUPAC name of tert-butyl formate;methyl 3-(methylamino)propanoate (CID 178136368) is tert-butyl formate;methyl 3-(methylamino)propanoate.
What is the SMILES notation for tert-butyl formate;methyl 3-(methylamino)propanoate?
The canonical SMILES for tert-butyl formate;methyl 3-(methylamino)propanoate is CC(C)(C)OC=O.CNCCC(=O)OC.
What is the InChIKey of tert-butyl formate;methyl 3-(methylamino)propanoate?
The InChIKey is MYQMNCJEXVYKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C5H10O2/c1-6-4-3-5(7)8-2;1-5(2,3)7-4-6/h6H,3-4H2,1-2H3;4H,1-3H3.
What are the key properties of tert-butyl formate;methyl 3-(methylamino)propanoate?
tert-butyl formate;methyl 3-(methylamino)propanoate has a molecular weight of 219.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;methyl 3-(methylamino)propanoate is sourced from PubChem (CID 178136368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).