methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate

C8H16N2O3 — CID 106276443

IUPACmethyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate
SMILESCOC(=O)CNCC(C)(C)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-8(2,7(9)12)5-10-4-6(11)13-3/h10H,4-5H2,1-3H3,(H2,9,12)
InChIKeyNCLXFRYOBOBWAL-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.74
Rot. Bonds5

About methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate

methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate (PubChem CID 106276443) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate
PubChem CID106276443
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namemethyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate
SMILESCOC(=O)CNCC(C)(C)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-8(2,7(9)12)5-10-4-6(11)13-3/h10H,4-5H2,1-3H3,(H2,9,12)
InChIKeyNCLXFRYOBOBWAL-UHFFFAOYSA-N
XLogP-0.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyethylamino)-2,2-dimethylpropanamide
CID 106276159
3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 106275897
ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate
CID 106276054
3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 114167213
3-hydrazinyl-2,2-dimethylpropanamide
CID 134242033
ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]acetate
CID 103096935
3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide
CID 106276316
methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate
CID 115233257
methyl 2-[(3-hydroxy-3-methylbutyl)amino]acetate
CID 79360422
2,2-dimethyl-3-(4-methylpentylamino)propanamide
CID 102672838
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate
CID 106276355
3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 106276098

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate?
The IUPAC name of methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate (CID 106276443) is methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate?
The canonical SMILES for methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate is COC(=O)CNCC(C)(C)C(N)=O.
What is the InChIKey of methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate?
The InChIKey is NCLXFRYOBOBWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-8(2,7(9)12)5-10-4-6(11)13-3/h10H,4-5H2,1-3H3,(H2,9,12).
What are the key properties of methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate?
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate has a molecular weight of 188.23 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate is sourced from PubChem (CID 106276443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).