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

C11H20N2O3 — CID 106278452

IUPACmethyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate
SMILESCOC(=O)C(NCC(C)(C)C(N)=O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,10(12)15)6-13-8(7-4-5-7)9(14)16-3/h7-8,13H,4-6H2,1-3H3,(H2,12,15)
InChIKeyKUEZPRYMUDAHKR-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.04
Rot. Bonds6

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

methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate (PubChem CID 106278452) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate
PubChem CID106278452
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate
SMILESCOC(=O)C(NCC(C)(C)C(N)=O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,10(12)15)6-13-8(7-4-5-7)9(14)16-3/h7-8,13H,4-6H2,1-3H3,(H2,12,15)
InChIKeyKUEZPRYMUDAHKR-UHFFFAOYSA-N
XLogP0.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetic acid
CID 106278391
methyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate
CID 106248351
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate
CID 106276355
methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate
CID 103261473
2-cyclopropyl-2-[(2-methoxy-2-methylpropyl)amino]acetic acid
CID 103266053
methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
CID 106842801
methyl 2-cyclopropyl-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetate
CID 103264509
methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 103255210
methyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
CID 107853970
methyl 2-cyclopropyl-2-(cyclopropylamino)acetate
CID 61310174
methyl 2-cyclopropyl-2-(2-methylpropoxyamino)acetate
CID 103261569
3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide
CID 56820054

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate?
The IUPAC name of methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate (CID 106278452) is methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate.
What is the SMILES notation for methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate?
The canonical SMILES for methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate is COC(=O)C(NCC(C)(C)C(N)=O)C1CC1.
What is the InChIKey of methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate?
The InChIKey is KUEZPRYMUDAHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,10(12)15)6-13-8(7-4-5-7)9(14)16-3/h7-8,13H,4-6H2,1-3H3,(H2,12,15).
What are the key properties of methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate?
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate has a molecular weight of 228.29 g/mol, XLogP of 0.04, 6 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]-2-cyclopropylacetate is sourced from PubChem (CID 106278452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).