ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate

C14H20N2O3 — CID 54995035

IUPACethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate
SMILESCCOC(=O)c1cc(N)ccc1N(CCO)C1CC1
InChIInChI=1S/C14H20N2O3/c1-2-19-14(18)12-9-10(15)3-6-13(12)16(7-8-17)11-4-5-11/h3,6,9,11,17H,2,4-5,7-8,15H2,1H3
InChIKeyDXSDYIKKVDIFER-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.41
Rot. Bonds6

About ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate

ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate (PubChem CID 54995035) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate
PubChem CID54995035
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate
SMILESCCOC(=O)c1cc(N)ccc1N(CCO)C1CC1
InChIInChI=1S/C14H20N2O3/c1-2-19-14(18)12-9-10(15)3-6-13(12)16(7-8-17)11-4-5-11/h3,6,9,11,17H,2,4-5,7-8,15H2,1H3
InChIKeyDXSDYIKKVDIFER-UHFFFAOYSA-N
XLogP1.41
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 61455680
ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate
CID 61307078
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 114047105
ethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate
CID 54995082
methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]benzoate
CID 54997374
5-amino-2-[butyl(cyclopropyl)amino]benzamide
CID 61443918
ethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate
CID 55256946
ethyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]benzoate
CID 63701067
ethyl 5-amino-2-[1-hydroxypropan-2-yl(methyl)amino]benzoate
CID 104553683
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate
CID 61489001
ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate
CID 115934585
ethyl 5-amino-2-[bis(2-amino-2-oxoethyl)amino]benzoate
CID 62921611

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate?
The IUPAC name of ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate (CID 54995035) is ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate.
What is the SMILES notation for ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate?
The canonical SMILES for ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate is CCOC(=O)c1cc(N)ccc1N(CCO)C1CC1.
What is the InChIKey of ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate?
The InChIKey is DXSDYIKKVDIFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-19-14(18)12-9-10(15)3-6-13(12)16(7-8-17)11-4-5-11/h3,6,9,11,17H,2,4-5,7-8,15H2,1H3.
What are the key properties of ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate?
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate has a molecular weight of 264.32 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate is sourced from PubChem (CID 54995035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).