ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate

C14H25NO3 — CID 62142000

IUPACethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate
SMILESCCOC(=O)C(C)(CCOC1CCC1)NC1CC1
InChIInChI=1S/C14H25NO3/c1-3-17-13(16)14(2,15-11-7-8-11)9-10-18-12-5-4-6-12/h11-12,15H,3-10H2,1-2H3
InChIKeySOQVVPUAARGLCJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.02
Rot. Bonds8

About ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate

ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate (PubChem CID 62142000) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate
PubChem CID62142000
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate
SMILESCCOC(=O)C(C)(CCOC1CCC1)NC1CC1
InChIInChI=1S/C14H25NO3/c1-3-17-13(16)14(2,15-11-7-8-11)9-10-18-12-5-4-6-12/h11-12,15H,3-10H2,1-2H3
InChIKeySOQVVPUAARGLCJ-UHFFFAOYSA-N
XLogP2.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60997340
ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate
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ethyl 2-(cyclopentylamino)-2-methylbutanoate
CID 60997455
ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate
CID 103489923
ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate
CID 107401126
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CID 62720491
ethyl 2-(cyclopropylamino)-2-methyl-6-pentylsulfanylhexanoate
CID 107755513
ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate
CID 102984108
ethyl 2-(cyclopropylamino)-3-[3-(2-methoxyethoxy)propoxy]-2-methylpropanoate
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CID 103180037

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate?
The IUPAC name of ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate (CID 62142000) is ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate.
What is the SMILES notation for ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate?
The canonical SMILES for ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate is CCOC(=O)C(C)(CCOC1CCC1)NC1CC1.
What is the InChIKey of ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate?
The InChIKey is SOQVVPUAARGLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-17-13(16)14(2,15-11-7-8-11)9-10-18-12-5-4-6-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate?
ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate has a molecular weight of 255.36 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate is sourced from PubChem (CID 62142000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).