5-ethoxy-2-[[4-[ethyl(prop-2-ynyl)amino]benzoyl]amino]-5-oxopentanoic acid

C19H24N2O5 — CID 118527092

IUPAC5-ethoxy-2-[[4-[ethyl(prop-2-ynyl)amino]benzoyl]amino]-5-oxopentanoic acid
SMILESC#CCN(CC)c1ccc(C(=O)NC(CCC(=O)OCC)C(=O)O)cc1
InChIInChI=1S/C19H24N2O5/c1-4-13-21(5-2)15-9-7-14(8-10-15)18(23)20-16(19(24)25)11-12-17(22)26-6-3/h1,7-10,16H,5-6,11-13H2,2-3H3,(H,20,23)(H,24,25)
InChIKeyWMKQSJBBUJGHIN-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.67
Rot. Bonds10

About 5-ethoxy-2-[[4-[ethyl(prop-2-ynyl)amino]benzoyl]amino]-5-oxopentanoic acid

5-ethoxy-2-[[4-[ethyl(prop-2-ynyl)amino]benzoyl]amino]-5-oxopentanoic acid (PubChem CID 118527092) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-ethoxy-2-[[4-[ethyl(prop-2-ynyl)amino]benzoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-ethoxy-2-[[4-[ethyl(prop-2-ynyl)amino]benzoyl]amino]-5-oxopentanoic acid
PubChem CID118527092
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name5-ethoxy-2-[[4-[ethyl(prop-2-ynyl)amino]benzoyl]amino]-5-oxopentanoic acid
SMILESC#CCN(CC)c1ccc(C(=O)NC(CCC(=O)OCC)C(=O)O)cc1
InChIInChI=1S/C19H24N2O5/c1-4-13-21(5-2)15-9-7-14(8-10-15)18(23)20-16(19(24)25)11-12-17(22)26-6-3/h1,7-10,16H,5-6,11-13H2,2-3H3,(H,20,23)(H,24,25)
InChIKeyWMKQSJBBUJGHIN-UHFFFAOYSA-N
XLogP1.67
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

diethyl (2S)-2-[[4-[(4-oxo-2-sulfanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioate
CID 14256696
diethyl (2S)-2-[[4-[ethoxycarbonyl(methyl)amino]benzoyl]amino]pentanedioate
CID 67876954
(2S)-5-ethoxy-5-oxo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 107039318
diethyl (2S)-2-[[4-[methyl(nitroso)amino]benzoyl]amino]pentanedioate
CID 171379925
2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid
CID 43241212
diethyl (2S)-2-[(4-formylbenzoyl)amino]pentanedioate
CID 13345227
(2R)-2-[[(4S)-4-carboxy-4-[[4-[iodo(prop-2-ynyl)amino]benzoyl]amino]butanoyl]amino]pentanedioic acid
CID 122500428
(2S)-2-[[4-[(2,4-dimethylquinolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
CID 14991332
(2S)-2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
CID 139621876
(2S)-2-[[4-[(2,4-diamino-5-chloroquinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
CID 134817156
diethyl 2-[[4-[(4-methylbenzoyl)amino]benzoyl]amino]pentanedioate
CID 3495215
(2S)-5-methoxy-2-[[4-(methylamino)benzoyl]amino]-5-oxopentanoic acid
CID 125473444

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[[4-[ethyl(prop-2-ynyl)amino]benzoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-ethoxy-2-[[4-[ethyl(prop-2-ynyl)amino]benzoyl]amino]-5-oxopentanoic acid (CID 118527092) is 5-ethoxy-2-[[4-[ethyl(prop-2-ynyl)amino]benzoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-ethoxy-2-[[4-[ethyl(prop-2-ynyl)amino]benzoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-ethoxy-2-[[4-[ethyl(prop-2-ynyl)amino]benzoyl]amino]-5-oxopentanoic acid is C#CCN(CC)c1ccc(C(=O)NC(CCC(=O)OCC)C(=O)O)cc1.
What is the InChIKey of 5-ethoxy-2-[[4-[ethyl(prop-2-ynyl)amino]benzoyl]amino]-5-oxopentanoic acid?
The InChIKey is WMKQSJBBUJGHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-4-13-21(5-2)15-9-7-14(8-10-15)18(23)20-16(19(24)25)11-12-17(22)26-6-3/h1,7-10,16H,5-6,11-13H2,2-3H3,(H,20,23)(H,24,25).
What are the key properties of 5-ethoxy-2-[[4-[ethyl(prop-2-ynyl)amino]benzoyl]amino]-5-oxopentanoic acid?
5-ethoxy-2-[[4-[ethyl(prop-2-ynyl)amino]benzoyl]amino]-5-oxopentanoic acid has a molecular weight of 360.41 g/mol, XLogP of 1.67, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[[4-[ethyl(prop-2-ynyl)amino]benzoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 118527092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).