ethyl 2-(1-cyclobutylethylamino)propanoate

C11H21NO2 — CID 115766406

IUPACethyl 2-(1-cyclobutylethylamino)propanoate
SMILESCCOC(=O)C(C)NC(C)C1CCC1
InChIInChI=1S/C11H21NO2/c1-4-14-11(13)9(3)12-8(2)10-6-5-7-10/h8-10,12H,4-7H2,1-3H3
InChIKeyPZAIRNZGBGRPAN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds5

About ethyl 2-(1-cyclobutylethylamino)propanoate

ethyl 2-(1-cyclobutylethylamino)propanoate (PubChem CID 115766406) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 2-(1-cyclobutylethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(1-cyclobutylethylamino)propanoate
PubChem CID115766406
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 2-(1-cyclobutylethylamino)propanoate
SMILESCCOC(=O)C(C)NC(C)C1CCC1
InChIInChI=1S/C11H21NO2/c1-4-14-11(13)9(3)12-8(2)10-6-5-7-10/h8-10,12H,4-7H2,1-3H3
InChIKeyPZAIRNZGBGRPAN-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81393902
ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate
CID 61498192
methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81386105
ethyl (2S)-2-(propan-2-ylamino)propanoate
CID 45086712
ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61498803
ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
CID 81391748
ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61498920
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
N-carbamoyl-2-(1-cyclobutylethylamino)propanamide
CID 115766420
ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate
CID 61498288
ethyl 2-cyclopentylpropanoate
CID 10654733
2-(1-cyclopentylethylamino)-N,N-diethylpropanamide
CID 62631567

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-cyclobutylethylamino)propanoate?
The IUPAC name of ethyl 2-(1-cyclobutylethylamino)propanoate (CID 115766406) is ethyl 2-(1-cyclobutylethylamino)propanoate.
What is the SMILES notation for ethyl 2-(1-cyclobutylethylamino)propanoate?
The canonical SMILES for ethyl 2-(1-cyclobutylethylamino)propanoate is CCOC(=O)C(C)NC(C)C1CCC1.
What is the InChIKey of ethyl 2-(1-cyclobutylethylamino)propanoate?
The InChIKey is PZAIRNZGBGRPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-14-11(13)9(3)12-8(2)10-6-5-7-10/h8-10,12H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(1-cyclobutylethylamino)propanoate?
ethyl 2-(1-cyclobutylethylamino)propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-cyclobutylethylamino)propanoate is sourced from PubChem (CID 115766406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).