acetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate

C13H19NO5 — CID 174870580

IUPACacetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate
SMILESCC(=O)O.CCNC(C)OC(=O)c1ccccc1O
InChIInChI=1S/C11H15NO3.C2H4O2/c1-3-12-8(2)15-11(14)9-6-4-5-7-10(9)13;1-2(3)4/h4-8,12-13H,3H2,1-2H3;1H3,(H,3,4)
InChIKeyUASPYPWNIIZRGM-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.60
Rot. Bonds4

About acetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate

acetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate (PubChem CID 174870580) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is acetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate.

Molecular Properties

Compound Nameacetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate
PubChem CID174870580
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Nameacetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate
SMILESCC(=O)O.CCNC(C)OC(=O)c1ccccc1O
InChIInChI=1S/C11H15NO3.C2H4O2/c1-3-12-8(2)15-11(14)9-6-4-5-7-10(9)13;1-2(3)4/h4-8,12-13H,3H2,1-2H3;1H3,(H,3,4)
InChIKeyUASPYPWNIIZRGM-UHFFFAOYSA-N
XLogP1.60
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-phenylpropan-2-yl 2-hydroxybenzoate
CID 139897029
1-phenylpropyl 2-hydroxybenzoate
CID 101286985
pent-1-en-3-yl 2-hydroxybenzoate
CID 11701252
[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-hydroxybenzoate
CID 7797799
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7484464
1,3-dihydroxypropan-2-yl 2-hydroxybenzoate
CID 23654554
(1-amino-2-phenylpropyl) 2-hydroxybenzoate
CID 175312215
benzene;butyl 2-hydroxybenzoate;carbonic acid
CID 158989973
butyl 2-hydroxybenzoate;carbonic acid
CID 146405927
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7797960
acetic acid;N-ethyl-1-phenylpropan-2-amine
CID 22214099
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7797953

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate?
The IUPAC name of acetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate (CID 174870580) is acetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate.
What is the SMILES notation for acetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate?
The canonical SMILES for acetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate is CC(=O)O.CCNC(C)OC(=O)c1ccccc1O.
What is the InChIKey of acetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate?
The InChIKey is UASPYPWNIIZRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.C2H4O2/c1-3-12-8(2)15-11(14)9-6-4-5-7-10(9)13;1-2(3)4/h4-8,12-13H,3H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate?
acetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate has a molecular weight of 269.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate is sourced from PubChem (CID 174870580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).