ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate

C14H27NO3 — CID 102984149

IUPACethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate
SMILESCCCC(C)OCC(C)(NC1CC1)C(=O)OCC
InChIInChI=1S/C14H27NO3/c1-5-7-11(3)18-10-14(4,13(16)17-6-2)15-12-8-9-12/h11-12,15H,5-10H2,1-4H3
InChIKeyCGDRFMYABCESGH-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.27
Rot. Bonds9

About ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate

ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate (PubChem CID 102984149) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate
PubChem CID102984149
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate
SMILESCCCC(C)OCC(C)(NC1CC1)C(=O)OCC
InChIInChI=1S/C14H27NO3/c1-5-7-11(3)18-10-14(4,13(16)17-6-2)15-12-8-9-12/h11-12,15H,5-10H2,1-4H3
InChIKeyCGDRFMYABCESGH-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(cyclopropylamino)-3-methoxypropanoate hydrochloride
CID 75525769
Methyl 3-(cyclopropylamino)oxetane-3-carboxylate
CID 80495260
Tert.butyl-l-threonine methyl ester
CID 129667996
ethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate
CID 155935691
Methyl 2-(cyclopropylamino)-2-methyl-3-(2,2,2-trifluoroethoxy)propanoate
CID 61938184
Ethyl 2-(cyclopropylamino)-2-methyl-3-(2,2,2-trifluoroethoxy)propanoate
CID 61938383
Methyl 2-methyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate
CID 66274411
Ethyl 2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate
CID 66274635
Methyl 2-methyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate
CID 66275718
Ethyl 2-methyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate
CID 66275721
Methyl 2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate
CID 66275928
Ethyl 2-(cyclopropylamino)-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanoate
CID 66276804

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate (CID 102984149) is ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate is CCCC(C)OCC(C)(NC1CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate?
The InChIKey is CGDRFMYABCESGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-7-11(3)18-10-14(4,13(16)17-6-2)15-12-8-9-12/h11-12,15H,5-10H2,1-4H3.
What are the key properties of ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate?
ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate has a molecular weight of 257.37 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate is sourced from PubChem (CID 102984149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).