ethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate

C14H20N2O3 — CID 54995082

IUPACethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(CCO)C2CC2)c(N)c1
InChIInChI=1S/C14H20N2O3/c1-2-19-14(18)10-3-6-13(12(15)9-10)16(7-8-17)11-4-5-11/h3,6,9,11,17H,2,4-5,7-8,15H2,1H3
InChIKeyXMXGAGYBMXZMFD-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.41
Rot. Bonds6

About ethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate

ethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate (PubChem CID 54995082) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate
PubChem CID54995082
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(CCO)C2CC2)c(N)c1
InChIInChI=1S/C14H20N2O3/c1-2-19-14(18)10-3-6-13(12(15)9-10)16(7-8-17)11-4-5-11/h3,6,9,11,17H,2,4-5,7-8,15H2,1H3
InChIKeyXMXGAGYBMXZMFD-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

methyl 3-amino-4-[cyclobutyl(2-hydroxyethyl)amino]benzoate
CID 102868394
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate
CID 54995035
ethyl 3-amino-4-[ethyl(3-hydroxypropyl)amino]benzoate
CID 113468914
3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzamide
CID 82989186
4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide
CID 63360938
3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 54995094
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 114047105
3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide
CID 82988974
3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide
CID 82992948
ethyl 3-amino-4-[methyl(3-methylbutan-2-yl)amino]benzoate
CID 61306432
4-[cyclobutyl(2-hydroxyethyl)amino]-3-methylbenzoic acid
CID 102863218
ethyl 4-amino-3-[2-hydroxyethyl(pentan-3-yl)amino]benzoate
CID 82777016

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate?
The IUPAC name of ethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate (CID 54995082) is ethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate.
What is the SMILES notation for ethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate?
The canonical SMILES for ethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate is CCOC(=O)c1ccc(N(CCO)C2CC2)c(N)c1.
What is the InChIKey of ethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate?
The InChIKey is XMXGAGYBMXZMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-19-14(18)10-3-6-13(12(15)9-10)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 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate?
ethyl 3-amino-4-[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 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate is sourced from PubChem (CID 54995082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).