ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate

C17H19NO5 — CID 11186177

IUPACethyl 4-aminobenzoate;methyl 2-hydroxybenzoate
SMILESCCOC(=O)c1ccc(N)cc1.COC(=O)c1ccccc1O
InChIInChI=1S/C9H11NO2.C8H8O3/c1-2-12-9(11)7-3-5-8(10)6-4-7;1-11-8(10)6-4-2-3-5-7(6)9/h3-6H,2,10H2,1H3;2-5,9H,1H3
InChIKeyIMOFXQVOEULTLN-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.62
Rot. Bonds3

About ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate

ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate (PubChem CID 11186177) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 4-aminobenzoate;methyl 2-hydroxybenzoate
PubChem CID11186177
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Nameethyl 4-aminobenzoate;methyl 2-hydroxybenzoate
SMILESCCOC(=O)c1ccc(N)cc1.COC(=O)c1ccccc1O
InChIInChI=1S/C9H11NO2.C8H8O3/c1-2-12-9(11)7-3-5-8(10)6-4-7;1-11-8(10)6-4-2-3-5-7(6)9/h3-6H,2,10H2,1H3;2-5,9H,1H3
InChIKeyIMOFXQVOEULTLN-UHFFFAOYSA-N
XLogP2.62
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-aminobenzoate
CID 2337
butane;ethyl 4-aminobenzoate
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ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
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ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
methyl 2-hydroxybenzoate;urea
CID 174888687
methyl 2-(4-aminobenzoyl)oxybenzoate
CID 3031786
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108500027
ethyl 4-aminobenzoate;ethyl 3-aminopropanoate
CID 159822320
ethyl 2-(4-methoxycarbonylphenyl)benzoate
CID 170872162
4-aminobenzoic acid;methyl 2-aminobenzoate
CID 174874321

Frequently Asked Questions

What is the IUPAC name of ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate?
The IUPAC name of ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate (CID 11186177) is ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate.
What is the SMILES notation for ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate?
The canonical SMILES for ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate is CCOC(=O)c1ccc(N)cc1.COC(=O)c1ccccc1O.
What is the InChIKey of ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate?
The InChIKey is IMOFXQVOEULTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C8H8O3/c1-2-12-9(11)7-3-5-8(10)6-4-7;1-11-8(10)6-4-2-3-5-7(6)9/h3-6H,2,10H2,1H3;2-5,9H,1H3.
What are the key properties of ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate?
ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate has a molecular weight of 317.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate is sourced from PubChem (CID 11186177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).