ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate

C16H24N2O3 — CID 115934585

IUPACethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate
SMILESCCOC(=O)c1cccc(N)c1N(CCO)C1CCCC1
InChIInChI=1S/C16H24N2O3/c1-2-21-16(20)13-8-5-9-14(17)15(13)18(10-11-19)12-6-3-4-7-12/h5,8-9,12,19H,2-4,6-7,10-11,17H2,1H3
InChIKeyYIYJRCJHRIEHIE-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.19
Rot. Bonds6

About ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate

ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate (PubChem CID 115934585) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate
PubChem CID115934585
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate
SMILESCCOC(=O)c1cccc(N)c1N(CCO)C1CCCC1
InChIInChI=1S/C16H24N2O3/c1-2-21-16(20)13-8-5-9-14(17)15(13)18(10-11-19)12-6-3-4-7-12/h5,8-9,12,19H,2-4,6-7,10-11,17H2,1H3
InChIKeyYIYJRCJHRIEHIE-UHFFFAOYSA-N
XLogP2.19
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.19
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 3-amino-2-[cyclohexyl(methyl)amino]benzoate
CID 115933967
ethyl 3-amino-2-[cyclopropylmethyl(methyl)amino]benzoate
CID 112578270
2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol
CID 102859508
3-amino-2-[cyclopropyl(propyl)amino]benzoic acid
CID 112578032
ethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate
CID 112579017
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 61115530
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate
CID 54995035
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 114047105
2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110139
3-amino-2-[cyclopropyl(ethyl)amino]benzoic acid
CID 112578001
ethyl 3-amino-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]benzoate
CID 113476165
2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide
CID 115545500

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate?
The IUPAC name of ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate (CID 115934585) is ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate.
What is the SMILES notation for ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate?
The canonical SMILES for ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate is CCOC(=O)c1cccc(N)c1N(CCO)C1CCCC1.
What is the InChIKey of ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate?
The InChIKey is YIYJRCJHRIEHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-21-16(20)13-8-5-9-14(17)15(13)18(10-11-19)12-6-3-4-7-12/h5,8-9,12,19H,2-4,6-7,10-11,17H2,1H3.
What are the key properties of ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate?
ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate has a molecular weight of 292.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate is sourced from PubChem (CID 115934585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).