ethyl 3-amino-2-(2-cyclopropylethylamino)benzoate

C14H20N2O2 — CID 112579170

IUPACethyl 3-amino-2-(2-cyclopropylethylamino)benzoate
SMILESCCOC(=O)c1cccc(N)c1NCCC1CC1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)11-4-3-5-12(15)13(11)16-9-8-10-6-7-10/h3-5,10,16H,2,6-9,15H2,1H3
InChIKeyUXPGIDHZSKNGDG-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.66
Rot. Bonds6

About ethyl 3-amino-2-(2-cyclopropylethylamino)benzoate

ethyl 3-amino-2-(2-cyclopropylethylamino)benzoate (PubChem CID 112579170) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethyl 3-amino-2-(2-cyclopropylethylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-amino-2-(2-cyclopropylethylamino)benzoate
PubChem CID112579170
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethyl 3-amino-2-(2-cyclopropylethylamino)benzoate
SMILESCCOC(=O)c1cccc(N)c1NCCC1CC1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)11-4-3-5-12(15)13(11)16-9-8-10-6-7-10/h3-5,10,16H,2,6-9,15H2,1H3
InChIKeyUXPGIDHZSKNGDG-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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ethyl 3-amino-2-[(2,2-dimethylcyclopropyl)methylamino]benzoate
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ethyl 3-amino-2-[(5-oxopyrrolidin-2-yl)methylamino]benzoate
CID 115935115
ethyl 3-amino-2-[(2-methylcyclopropyl)amino]benzoate
CID 112578791
ethyl 3-amino-2-[(1-methylpiperidin-2-yl)methylamino]benzoate
CID 115934678
ethyl 3-amino-2-[(2-ethylcyclopropyl)amino]benzoate
CID 114109411
ethyl 3-amino-2-[(4-chlorophenyl)methylamino]benzoate
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ethyl 3-amino-2-(pyridin-4-ylmethylamino)benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(2-cyclopropylethylamino)benzoate?
The IUPAC name of ethyl 3-amino-2-(2-cyclopropylethylamino)benzoate (CID 112579170) is ethyl 3-amino-2-(2-cyclopropylethylamino)benzoate.
What is the SMILES notation for ethyl 3-amino-2-(2-cyclopropylethylamino)benzoate?
The canonical SMILES for ethyl 3-amino-2-(2-cyclopropylethylamino)benzoate is CCOC(=O)c1cccc(N)c1NCCC1CC1.
What is the InChIKey of ethyl 3-amino-2-(2-cyclopropylethylamino)benzoate?
The InChIKey is UXPGIDHZSKNGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-14(17)11-4-3-5-12(15)13(11)16-9-8-10-6-7-10/h3-5,10,16H,2,6-9,15H2,1H3.
What are the key properties of ethyl 3-amino-2-(2-cyclopropylethylamino)benzoate?
ethyl 3-amino-2-(2-cyclopropylethylamino)benzoate has a molecular weight of 248.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(2-cyclopropylethylamino)benzoate is sourced from PubChem (CID 112579170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).