ethyl 4-(2-aminobutanoylamino)benzoate

C13H18N2O3 — CID 61252115

IUPACethyl 4-(2-aminobutanoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(N)CC)cc1
InChIInChI=1S/C13H18N2O3/c1-3-11(14)12(16)15-10-7-5-9(6-8-10)13(17)18-4-2/h5-8,11H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyXEIQHYSYDLKAIY-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.54
Rot. Bonds5

About ethyl 4-(2-aminobutanoylamino)benzoate

ethyl 4-(2-aminobutanoylamino)benzoate (PubChem CID 61252115) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 4-(2-aminobutanoylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-aminobutanoylamino)benzoate
PubChem CID61252115
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 4-(2-aminobutanoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(N)CC)cc1
InChIInChI=1S/C13H18N2O3/c1-3-11(14)12(16)15-10-7-5-9(6-8-10)13(17)18-4-2/h5-8,11H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyXEIQHYSYDLKAIY-UHFFFAOYSA-N
XLogP1.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 81088417
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4-[[(2S)-2-aminobutanoyl]amino]benzoic acid
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ethane;ethyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoate
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ethyl 4-(2-chloropropanoylamino)benzoate
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ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
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propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate
CID 103793905
4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide
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ethyl 4-(4-acetamidophenyl)benzoate
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bromomethane;ethyl 4-[2-(diethylamino)propanoylamino]benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-aminobutanoylamino)benzoate?
The IUPAC name of ethyl 4-(2-aminobutanoylamino)benzoate (CID 61252115) is ethyl 4-(2-aminobutanoylamino)benzoate.
What is the SMILES notation for ethyl 4-(2-aminobutanoylamino)benzoate?
The canonical SMILES for ethyl 4-(2-aminobutanoylamino)benzoate is CCOC(=O)c1ccc(NC(=O)C(N)CC)cc1.
What is the InChIKey of ethyl 4-(2-aminobutanoylamino)benzoate?
The InChIKey is XEIQHYSYDLKAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-11(14)12(16)15-10-7-5-9(6-8-10)13(17)18-4-2/h5-8,11H,3-4,14H2,1-2H3,(H,15,16).
What are the key properties of ethyl 4-(2-aminobutanoylamino)benzoate?
ethyl 4-(2-aminobutanoylamino)benzoate has a molecular weight of 250.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-aminobutanoylamino)benzoate is sourced from PubChem (CID 61252115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).