methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate

C10H19NO2 — CID 43726079

IUPACmethyl 2-(1-cyclopropylethylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)C1CC1
InChIInChI=1S/C10H19NO2/c1-7(8-5-6-8)11-10(2,3)9(12)13-4/h7-8,11H,5-6H2,1-4H3
InChIKeyLDJLJIMGSGWALM-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds4

About methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate

methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate (PubChem CID 43726079) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(1-cyclopropylethylamino)-2-methylpropanoate
PubChem CID43726079
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-(1-cyclopropylethylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)C1CC1
InChIInChI=1S/C10H19NO2/c1-7(8-5-6-8)11-10(2,3)9(12)13-4/h7-8,11H,5-6H2,1-4H3
InChIKeyLDJLJIMGSGWALM-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 95629912
methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate
CID 43726051
methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate
CID 43787162
methyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate
CID 65086625
methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 60786156
methyl 2-methyl-2-[(3-propan-2-ylcyclobutyl)amino]propanoate
CID 103561404
methyl 2-methyl-2-[(3-propan-2-ylcyclohexyl)amino]propanoate
CID 107448178
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylpropanamide
CID 61220165
methyl 3-hydroxy-2,2-dimethyl-3-(thiolan-3-yl)propanoate
CID 176838276
N-[(1R)-1-cyclopentylethyl]-2-methoxy-2-methylpropanamide
CID 103029233
methyl 2-methyl-2-(sulfanylamino)propanoate
CID 59695497
methyl 2-methyl-2-((111C)methylamino)propanoate
CID 10534687

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate?
The IUPAC name of methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate (CID 43726079) is methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate?
The canonical SMILES for methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate is COC(=O)C(C)(C)NC(C)C1CC1.
What is the InChIKey of methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate?
The InChIKey is LDJLJIMGSGWALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(8-5-6-8)11-10(2,3)9(12)13-4/h7-8,11H,5-6H2,1-4H3.
What are the key properties of methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate?
methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate has a molecular weight of 185.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate is sourced from PubChem (CID 43726079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).