2-[2-(ethylamino)acetyl]oxybenzoic acid;hydrochloride

C11H14ClNO4 — CID 175170820

IUPAC2-[2-(ethylamino)acetyl]oxybenzoic acid;hydrochloride
SMILESCCNCC(=O)Oc1ccccc1C(=O)O.Cl
InChIInChI=1S/C11H13NO4.ClH/c1-2-12-7-10(13)16-9-6-4-3-5-8(9)11(14)15;/h3-6,12H,2,7H2,1H3,(H,14,15);1H
InChIKeyQYYKTMVIXFVCQC-UHFFFAOYSA-N
MW259.69 g/mol
LogP1.32
Rot. Bonds5

About 2-[2-(ethylamino)acetyl]oxybenzoic acid;hydrochloride

2-[2-(ethylamino)acetyl]oxybenzoic acid;hydrochloride (PubChem CID 175170820) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-[2-(ethylamino)acetyl]oxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name2-[2-(ethylamino)acetyl]oxybenzoic acid;hydrochloride
PubChem CID175170820
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name2-[2-(ethylamino)acetyl]oxybenzoic acid;hydrochloride
SMILESCCNCC(=O)Oc1ccccc1C(=O)O.Cl
InChIInChI=1S/C11H13NO4.ClH/c1-2-12-7-10(13)16-9-6-4-3-5-8(9)11(14)15;/h3-6,12H,2,7H2,1H3,(H,14,15);1H
InChIKeyQYYKTMVIXFVCQC-UHFFFAOYSA-N
XLogP1.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyacetyl)oxybenzoic acid
CID 163885904
2-acetyloxybenzoic acid;azane;ethanol;hydrate
CID 174981083
2-(2-methylpropanoyloxy)benzoic acid
CID 54224926
2-pent-2-en-3-yloxybenzoic acid
CID 91304181
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
2-ethoxybenzoic acid;zinc
CID 172723273
2-acetyloxybenzoic acid;ethene
CID 67877309
N-ethylethanamine;2-hydroxybenzoic acid;hydrate
CID 159203419
2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
2-pent-4-ynoyloxybenzoic acid
CID 102103657
2-(6-bromohexanoyloxy)benzoic acid
CID 91612936
cesium;(2-carboxyphenoxy)methanethioate;ethyl 2-acetamidoacetate
CID 144552936

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)acetyl]oxybenzoic acid;hydrochloride?
The IUPAC name of 2-[2-(ethylamino)acetyl]oxybenzoic acid;hydrochloride (CID 175170820) is 2-[2-(ethylamino)acetyl]oxybenzoic acid;hydrochloride.
What is the SMILES notation for 2-[2-(ethylamino)acetyl]oxybenzoic acid;hydrochloride?
The canonical SMILES for 2-[2-(ethylamino)acetyl]oxybenzoic acid;hydrochloride is CCNCC(=O)Oc1ccccc1C(=O)O.Cl.
What is the InChIKey of 2-[2-(ethylamino)acetyl]oxybenzoic acid;hydrochloride?
The InChIKey is QYYKTMVIXFVCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4.ClH/c1-2-12-7-10(13)16-9-6-4-3-5-8(9)11(14)15;/h3-6,12H,2,7H2,1H3,(H,14,15);1H.
What are the key properties of 2-[2-(ethylamino)acetyl]oxybenzoic acid;hydrochloride?
2-[2-(ethylamino)acetyl]oxybenzoic acid;hydrochloride has a molecular weight of 259.69 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)acetyl]oxybenzoic acid;hydrochloride is sourced from PubChem (CID 175170820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).