ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate

C13H26N2O2 — CID 107401021

IUPACethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate
SMILESCCOC(=O)C(CN(CC)CC1CCC1)NC
InChIInChI=1S/C13H26N2O2/c1-4-15(9-11-7-6-8-11)10-12(14-3)13(16)17-5-2/h11-12,14H,4-10H2,1-3H3
InChIKeyKIIQFBMMQBXUJN-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds8

About ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate

ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate (PubChem CID 107401021) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate
PubChem CID107401021
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate
SMILESCCOC(=O)C(CN(CC)CC1CCC1)NC
InChIInChI=1S/C13H26N2O2/c1-4-15(9-11-7-6-8-11)10-12(14-3)13(16)17-5-2/h11-12,14H,4-10H2,1-3H3
InChIKeyKIIQFBMMQBXUJN-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate
CID 55143357
3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77067837
methyl 2-amino-3-[cyclopropylmethyl(ethyl)amino]propanoate
CID 63955898
1-[cyclobutylmethyl(ethyl)amino]propan-2-ol
CID 103714006
1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine
CID 107397983
ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate
CID 63028830
methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate
CID 107401182
3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol
CID 107400463
3-[cyclobutylmethyl(ethyl)amino]propanehydrazide
CID 107402379
3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid
CID 63939336
ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate
CID 107401126
2-[cyclobutylmethyl(ethyl)amino]-1-cyclohexylethanol
CID 107400916

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate?
The IUPAC name of ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate (CID 107401021) is ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate.
What is the SMILES notation for ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate?
The canonical SMILES for ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate is CCOC(=O)C(CN(CC)CC1CCC1)NC.
What is the InChIKey of ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate?
The InChIKey is KIIQFBMMQBXUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-15(9-11-7-6-8-11)10-12(14-3)13(16)17-5-2/h11-12,14H,4-10H2,1-3H3.
What are the key properties of ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate?
ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate has a molecular weight of 242.36 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate is sourced from PubChem (CID 107401021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).