ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate

C14H18N2O3 — CID 60647219

IUPACethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CNC2CC2)cc1
InChIInChI=1S/C14H18N2O3/c1-2-19-14(18)10-3-5-12(6-4-10)16-13(17)9-15-11-7-8-11/h3-6,11,15H,2,7-9H2,1H3,(H,16,17)
InChIKeyLGDQXSGBGYZMAB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.55
Rot. Bonds6

About ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate

ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate (PubChem CID 60647219) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate
PubChem CID60647219
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CNC2CC2)cc1
InChIInChI=1S/C14H18N2O3/c1-2-19-14(18)10-3-5-12(6-4-10)16-13(17)9-15-11-7-8-11/h3-6,11,15H,2,7-9H2,1H3,(H,16,17)
InChIKeyLGDQXSGBGYZMAB-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

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Related Compounds

ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 61260799
ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
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ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 113000796
2-(cyclopentylamino)-N-(4-ethoxyphenyl)acetamide
CID 47107212
ethyl 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003659
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide
CID 60945147
4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076103
ethyl 4-(3,3-dimethylbutanoylamino)benzoate
CID 4629358
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-(4-methylpentanoylamino)benzoate
CID 43404103
ethyl 4-(3-methoxypropanoylamino)benzoate
CID 62590057

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate (CID 60647219) is ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CNC2CC2)cc1.
What is the InChIKey of ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate?
The InChIKey is LGDQXSGBGYZMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-19-14(18)10-3-5-12(6-4-10)16-13(17)9-15-11-7-8-11/h3-6,11,15H,2,7-9H2,1H3,(H,16,17).
What are the key properties of ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate?
ethyl 4-[[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 4-[[2-(cyclopropylamino)acetyl]amino]benzoate is sourced from PubChem (CID 60647219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).