ethyl 3-(cyclobutylamino)-2-methylpropanoate

C10H19NO2 — CID 62415345

IUPACethyl 3-(cyclobutylamino)-2-methylpropanoate
SMILESCCOC(=O)C(C)CNC1CCC1
InChIInChI=1S/C10H19NO2/c1-3-13-10(12)8(2)7-11-9-5-4-6-9/h8-9,11H,3-7H2,1-2H3
InChIKeyJXUDJJZBTJBCMC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds5

About ethyl 3-(cyclobutylamino)-2-methylpropanoate

ethyl 3-(cyclobutylamino)-2-methylpropanoate (PubChem CID 62415345) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 3-(cyclobutylamino)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(cyclobutylamino)-2-methylpropanoate
PubChem CID62415345
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 3-(cyclobutylamino)-2-methylpropanoate
SMILESCCOC(=O)C(C)CNC1CCC1
InChIInChI=1S/C10H19NO2/c1-3-13-10(12)8(2)7-11-9-5-4-6-9/h8-9,11H,3-7H2,1-2H3
InChIKeyJXUDJJZBTJBCMC-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

acetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate
CID 68737349
2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate
CID 170283768
ethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate
CID 79357961
ethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate
CID 63995099
ethyl 3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylpropanoate
CID 64921594
ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43312132
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl 3-(ethoxyamino)-2-methylpropanoate
CID 64974924
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
methyl 2-cyclobutyl-3-(cyclobutylamino)propanoate
CID 117245680
ethyl 2-(1-cyclobutylethylamino)propanoate
CID 115766406
ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate
CID 61498288

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclobutylamino)-2-methylpropanoate?
The IUPAC name of ethyl 3-(cyclobutylamino)-2-methylpropanoate (CID 62415345) is ethyl 3-(cyclobutylamino)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(cyclobutylamino)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(cyclobutylamino)-2-methylpropanoate is CCOC(=O)C(C)CNC1CCC1.
What is the InChIKey of ethyl 3-(cyclobutylamino)-2-methylpropanoate?
The InChIKey is JXUDJJZBTJBCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-13-10(12)8(2)7-11-9-5-4-6-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of ethyl 3-(cyclobutylamino)-2-methylpropanoate?
ethyl 3-(cyclobutylamino)-2-methylpropanoate has a molecular weight of 185.27 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclobutylamino)-2-methylpropanoate is sourced from PubChem (CID 62415345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).