ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate

C14H18N2O3 — CID 61260799

IUPACethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CNC2CC2)c1
InChIInChI=1S/C14H18N2O3/c1-2-19-14(18)10-4-3-5-12(8-10)16-13(17)9-15-11-6-7-11/h3-5,8,11,15H,2,6-7,9H2,1H3,(H,16,17)
InChIKeyOOESLXPNPIJLSJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.55
Rot. Bonds6

About ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate

ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate (PubChem CID 61260799) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate
PubChem CID61260799
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CNC2CC2)c1
InChIInChI=1S/C14H18N2O3/c1-2-19-14(18)10-4-3-5-12(8-10)16-13(17)9-15-11-6-7-11/h3-5,8,11,15H,2,6-7,9H2,1H3,(H,16,17)
InChIKeyOOESLXPNPIJLSJ-UHFFFAOYSA-N
XLogP1.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 60647219
methyl 3-[[2-(cyclohexylamino)acetyl]amino]benzoate
CID 1133399
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
ethyl 3-(3-cyclopentylpropanoylamino)benzoate
CID 837279
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149
N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide
CID 60843404
ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003606
ethyl 3-(4-hydroxybutanoylamino)benzoate
CID 79192155
ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride
CID 70000675
3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide
CID 54816300
ethyl 3-(4-aminobutanoylamino)benzoate;hydrochloride
CID 119272979

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate?
The IUPAC name of ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate (CID 61260799) is ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)CNC2CC2)c1.
What is the InChIKey of ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate?
The InChIKey is OOESLXPNPIJLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-19-14(18)10-4-3-5-12(8-10)16-13(17)9-15-11-6-7-11/h3-5,8,11,15H,2,6-7,9H2,1H3,(H,16,17).
What are the key properties of ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate?
ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate has a molecular weight of 262.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate is sourced from PubChem (CID 61260799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).