methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate

C8H15NO4 — CID 112686620

IUPACmethyl 2-[(2-propan-2-yloxyacetyl)amino]acetate
SMILESCOC(=O)CNC(=O)COC(C)C
InChIInChI=1S/C8H15NO4/c1-6(2)13-5-7(10)9-4-8(11)12-3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyIVJUSCADVBWQJX-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.30
Rot. Bonds5

About methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate

methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate (PubChem CID 112686620) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-propan-2-yloxyacetyl)amino]acetate
PubChem CID112686620
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namemethyl 2-[(2-propan-2-yloxyacetyl)amino]acetate
SMILESCOC(=O)CNC(=O)COC(C)C
InChIInChI=1S/C8H15NO4/c1-6(2)13-5-7(10)9-4-8(11)12-3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyIVJUSCADVBWQJX-UHFFFAOYSA-N
XLogP-0.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid
CID 112555185
N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide
CID 104625347
N-(2-aminopropyl)-2-propan-2-yloxyacetamide
CID 112603386
methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]acetate
CID 43431221
N-[2-(methylamino)ethyl]-2-propan-2-yloxyacetamide
CID 112701277
methyl 2-(3-aminobutanoylamino)acetate
CID 60914832
N-phenacyl-2-propan-2-yloxyacetamide
CID 112602781
2-propan-2-yloxy-N-prop-2-enylacetamide
CID 112686662
N-(2-hydroxy-3-methoxypropyl)-2-propan-2-yloxyacetamide
CID 112703011
2-propan-2-yloxy-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 103528341
methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
CID 3243567
N-(2-chloro-4,4-dimethylpentyl)-2-propan-2-yloxyacetamide
CID 107156914

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate?
The IUPAC name of methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate (CID 112686620) is methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate is COC(=O)CNC(=O)COC(C)C.
What is the InChIKey of methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate?
The InChIKey is IVJUSCADVBWQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(2)13-5-7(10)9-4-8(11)12-3/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate?
methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate has a molecular weight of 189.21 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate is sourced from PubChem (CID 112686620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).