ethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate

C15H20N2O3 — CID 79854988

IUPACethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CC1(N)CCC1
InChIInChI=1S/C15H20N2O3/c1-2-20-14(19)11-6-3-4-7-12(11)17-13(18)10-15(16)8-5-9-15/h3-4,6-7H,2,5,8-10,16H2,1H3,(H,17,18)
InChIKeyAXKKEOMNJFNCEH-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.07
Rot. Bonds5

About ethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate

ethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate (PubChem CID 79854988) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate
PubChem CID79854988
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CC1(N)CCC1
InChIInChI=1S/C15H20N2O3/c1-2-20-14(19)11-6-3-4-7-12(11)17-13(18)10-15(16)8-5-9-15/h3-4,6-7H,2,5,8-10,16H2,1H3,(H,17,18)
InChIKeyAXKKEOMNJFNCEH-UHFFFAOYSA-N
XLogP2.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[[2-(1-aminocyclohexyl)acetyl]amino]-2-methylbenzoic acid
CID 64683801
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
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2-(1-aminocyclopentyl)-N-(2-fluorophenyl)acetamide
CID 64685138
2-(1-aminocyclobutyl)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 79854866
ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate
CID 24686043
ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate
CID 113001765
2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 60662085
ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate
CID 28712736

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate (CID 79854988) is ethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CC1(N)CCC1.
What is the InChIKey of ethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate?
The InChIKey is AXKKEOMNJFNCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-14(19)11-6-3-4-7-12(11)17-13(18)10-15(16)8-5-9-15/h3-4,6-7H,2,5,8-10,16H2,1H3,(H,17,18).
What are the key properties of ethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate?
ethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate has a molecular weight of 276.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate is sourced from PubChem (CID 79854988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).