ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate

C15H20ClNO2 — CID 61498206

IUPACethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
SMILESCCOC(=O)C(C)NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H20ClNO2/c1-3-19-15(18)10(2)17-14-8-12(9-14)11-5-4-6-13(16)7-11/h4-7,10,12,14,17H,3,8-9H2,1-2H3
InChIKeyLHIRBSUSNQWNHS-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.13
Rot. Bonds5

About ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate

ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate (PubChem CID 61498206) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
PubChem CID61498206
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Nameethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
SMILESCCOC(=O)C(C)NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H20ClNO2/c1-3-19-15(18)10(2)17-14-8-12(9-14)11-5-4-6-13(16)7-11/h4-7,10,12,14,17H,3,8-9H2,1-2H3
InChIKeyLHIRBSUSNQWNHS-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 60780699
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate
CID 54921027
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide
CID 106344516
3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954950
(2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol
CID 79253874
2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol
CID 43634758
3-(3-chlorophenyl)-N-(5-methylhexan-2-yl)cyclobutan-1-amine
CID 43634179
ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate
CID 61498275
3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 63449056
3-(3-chlorophenyl)-N-hex-1-yn-3-ylcyclobutan-1-amine
CID 106226917
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635314
3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine
CID 79547861

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate?
The IUPAC name of ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate (CID 61498206) is ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate is CCOC(=O)C(C)NC1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate?
The InChIKey is LHIRBSUSNQWNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-3-19-15(18)10(2)17-14-8-12(9-14)11-5-4-6-13(16)7-11/h4-7,10,12,14,17H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate?
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate has a molecular weight of 281.78 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate is sourced from PubChem (CID 61498206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).