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

C14H18ClNO2 — CID 54921027

IUPACethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate
SMILESCCOC(=O)CNC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C14H18ClNO2/c1-2-18-14(17)9-16-13-7-11(8-13)10-4-3-5-12(15)6-10/h3-6,11,13,16H,2,7-9H2,1H3
InChIKeyXNIOHIDNTSUIHZ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.74
Rot. Bonds5

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

ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate (PubChem CID 54921027) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate
PubChem CID54921027
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Nameethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate
SMILESCCOC(=O)CNC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C14H18ClNO2/c1-2-18-14(17)9-16-13-7-11(8-13)10-4-3-5-12(15)6-10/h3-6,11,13,16H,2,7-9H2,1H3
InChIKeyXNIOHIDNTSUIHZ-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate (CID 54921027) is ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate is CCOC(=O)CNC1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate?
The InChIKey is XNIOHIDNTSUIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-2-18-14(17)9-16-13-7-11(8-13)10-4-3-5-12(15)6-10/h3-6,11,13,16H,2,7-9H2,1H3.
What are the key properties of ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate?
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate has a molecular weight of 267.76 g/mol, XLogP of 2.74, 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]acetate is sourced from PubChem (CID 54921027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).