methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate

C13H25NO3 — CID 63921337

IUPACmethyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate
SMILESCCNC(COCC(C)C)(C(=O)OC)C1CC1
InChIInChI=1S/C13H25NO3/c1-5-14-13(11-6-7-11,12(15)16-4)9-17-8-10(2)3/h10-11,14H,5-9H2,1-4H3
InChIKeyMCAUFHZZLSKDSM-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.59
Rot. Bonds8

About methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate

methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate (PubChem CID 63921337) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate
PubChem CID63921337
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate
SMILESCCNC(COCC(C)C)(C(=O)OC)C1CC1
InChIInChI=1S/C13H25NO3/c1-5-14-13(11-6-7-11,12(15)16-4)9-17-8-10(2)3/h10-11,14H,5-9H2,1-4H3
InChIKeyMCAUFHZZLSKDSM-UHFFFAOYSA-N
XLogP1.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate
CID 102984449
2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide
CID 63921332
methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate
CID 64745588
methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
CID 63906010
methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate
CID 82005504
methyl 2-cyclopropyl-2-(ethylamino)-3-(3-hydroxy-2-methylpropyl)sulfanylpropanoate
CID 66103421
methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate
CID 63918602
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate
CID 82006240
methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate
CID 63920379
3-butoxy-2-cyclopropyl-2-(ethylamino)propanamide
CID 63918660
methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate
CID 63920176
2-cyclopropyl-2-(ethylamino)-3-(2-ethylhexoxy)propanamide
CID 63919546

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate (CID 63921337) is methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate is CCNC(COCC(C)C)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate?
The InChIKey is MCAUFHZZLSKDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-14-13(11-6-7-11,12(15)16-4)9-17-8-10(2)3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate?
methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate has a molecular weight of 243.35 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate is sourced from PubChem (CID 63921337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).