ethyl 2-hydroxy-5-[[2-[(3R)-5-oxooxolan-3-yl]acetyl]amino]benzoate

C15H17NO6 — CID 125144290

IUPACethyl 2-hydroxy-5-[[2-[(3R)-5-oxooxolan-3-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)C[C@H]2COC(=O)C2)ccc1O
InChIInChI=1S/C15H17NO6/c1-2-21-15(20)11-7-10(3-4-12(11)17)16-13(18)5-9-6-14(19)22-8-9/h3-4,7,9,17H,2,5-6,8H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeySMHFTRUDISHHFB-SECBINFHSA-N
MW307.30 g/mol
LogP1.46
Rot. Bonds5

About ethyl 2-hydroxy-5-[[2-[(3R)-5-oxooxolan-3-yl]acetyl]amino]benzoate

ethyl 2-hydroxy-5-[[2-[(3R)-5-oxooxolan-3-yl]acetyl]amino]benzoate (PubChem CID 125144290) has the molecular formula C15H17NO6 and a molecular weight of 307.30 g/mol. Its IUPAC name is ethyl 2-hydroxy-5-[[2-[(3R)-5-oxooxolan-3-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-5-[[2-[(3R)-5-oxooxolan-3-yl]acetyl]amino]benzoate
PubChem CID125144290
Molecular FormulaC15H17NO6
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Nameethyl 2-hydroxy-5-[[2-[(3R)-5-oxooxolan-3-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)C[C@H]2COC(=O)C2)ccc1O
InChIInChI=1S/C15H17NO6/c1-2-21-15(20)11-7-10(3-4-12(11)17)16-13(18)5-9-6-14(19)22-8-9/h3-4,7,9,17H,2,5-6,8H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeySMHFTRUDISHHFB-SECBINFHSA-N
XLogP1.46
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-hydroxy-5-[[2-[(3R)-5-oxooxolan-3-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 5-[(2-cyanoacetyl)amino]-2-hydroxybenzoate
CID 122149816
N-[6-(dimethylamino)naphthalen-2-yl]-2-(5-oxooxolan-3-yl)acetamide
CID 126816958
ethyl 2-hydroxy-5-[[(2R)-7-oxoazepane-2-carbonyl]amino]benzoate
CID 125143991
2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid
CID 136557392
ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
tert-butyl 5-[(3-amino-3-oxopropanoyl)amino]-2-hydroxybenzoate
CID 139021061
ethyl 5-[(3-ethoxycarbonyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
CID 23660222
ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate
CID 60629911
4-(3-ethoxycarbonyl-4-piperidin-1-ylanilino)-4-oxobutanoate
CID 6930029
5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid
CID 28777069
ethyl 4-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]-2-hydroxybenzoate
CID 126208090
ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane
CID 23622666

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-5-[[2-[(3R)-5-oxooxolan-3-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-hydroxy-5-[[2-[(3R)-5-oxooxolan-3-yl]acetyl]amino]benzoate (CID 125144290) is ethyl 2-hydroxy-5-[[2-[(3R)-5-oxooxolan-3-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-hydroxy-5-[[2-[(3R)-5-oxooxolan-3-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-hydroxy-5-[[2-[(3R)-5-oxooxolan-3-yl]acetyl]amino]benzoate is CCOC(=O)c1cc(NC(=O)C[C@H]2COC(=O)C2)ccc1O.
What is the InChIKey of ethyl 2-hydroxy-5-[[2-[(3R)-5-oxooxolan-3-yl]acetyl]amino]benzoate?
The InChIKey is SMHFTRUDISHHFB-SECBINFHSA-N. The full InChI is InChI=1S/C15H17NO6/c1-2-21-15(20)11-7-10(3-4-12(11)17)16-13(18)5-9-6-14(19)22-8-9/h3-4,7,9,17H,2,5-6,8H2,1H3,(H,16,18)/t9-/m1/s1.
What are the key properties of ethyl 2-hydroxy-5-[[2-[(3R)-5-oxooxolan-3-yl]acetyl]amino]benzoate?
ethyl 2-hydroxy-5-[[2-[(3R)-5-oxooxolan-3-yl]acetyl]amino]benzoate has a molecular weight of 307.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-5-[[2-[(3R)-5-oxooxolan-3-yl]acetyl]amino]benzoate is sourced from PubChem (CID 125144290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).