methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate

C15H18N2O4 — CID 112999895

IUPACmethyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CNC(=O)C2CCC2)c1
InChIInChI=1S/C15H18N2O4/c1-21-15(20)11-6-3-7-12(8-11)17-13(18)9-16-14(19)10-4-2-5-10/h3,6-8,10H,2,4-5,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyANWBFHXNLAFYAN-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.33
Rot. Bonds5

About methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate

methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate (PubChem CID 112999895) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate
PubChem CID112999895
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CNC(=O)C2CCC2)c1
InChIInChI=1S/C15H18N2O4/c1-21-15(20)11-6-3-7-12(8-11)17-13(18)9-16-14(19)10-4-2-5-10/h3,6-8,10H,2,4-5,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyANWBFHXNLAFYAN-UHFFFAOYSA-N
XLogP1.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997859
methyl 3-[(2-cyclobutylacetyl)amino]benzoate
CID 103706367
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 772134
methyl 3-[[2-(cyclohexylamino)acetyl]amino]benzoate
CID 1133399
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
methyl 3-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzoate
CID 112770322
methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]benzoate
CID 61254044
methyl 3-[[4-(butylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109145173
methyl 3-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 112999894
methyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate
CID 113049442
methyl 3-[[2-(prop-2-ynylamino)acetyl]amino]benzoate
CID 71627760
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate (CID 112999895) is methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)CNC(=O)C2CCC2)c1.
What is the InChIKey of methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate?
The InChIKey is ANWBFHXNLAFYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-21-15(20)11-6-3-7-12(8-11)17-13(18)9-16-14(19)10-4-2-5-10/h3,6-8,10H,2,4-5,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate?
methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate has a molecular weight of 290.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate is sourced from PubChem (CID 112999895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).