methyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate

C13H19NO4S — CID 82348695

IUPACmethyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate
SMILESCOCCNC(CCC(=O)OC)C(=O)c1cccs1
InChIInChI=1S/C13H19NO4S/c1-17-8-7-14-10(5-6-12(15)18-2)13(16)11-4-3-9-19-11/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyQJCDZTZTSCYXJN-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.49
Rot. Bonds9

About methyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate

methyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate (PubChem CID 82348695) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is methyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate.

Molecular Properties

Compound Namemethyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate
PubChem CID82348695
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Namemethyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate
SMILESCOCCNC(CCC(=O)OC)C(=O)c1cccs1
InChIInChI=1S/C13H19NO4S/c1-17-8-7-14-10(5-6-12(15)18-2)13(16)11-4-3-9-19-11/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyQJCDZTZTSCYXJN-UHFFFAOYSA-N
XLogP1.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
CID 107820841
2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one
CID 116567437
methyl 4-oxo-3-(propan-2-ylamino)-4-thiophen-2-ylbutanoate
CID 82348614
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
N-(dithiophen-2-ylmethyl)-2-methoxyethanamine
CID 43756292
(2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
CID 106931658
methyl 4-(butylamino)-5-oxo-5-phenylpentanoate
CID 82347398
N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide
CID 106245034
methyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate
CID 82347407
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate?
The IUPAC name of methyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate (CID 82348695) is methyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate.
What is the SMILES notation for methyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate?
The canonical SMILES for methyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate is COCCNC(CCC(=O)OC)C(=O)c1cccs1.
What is the InChIKey of methyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate?
The InChIKey is QJCDZTZTSCYXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-17-8-7-14-10(5-6-12(15)18-2)13(16)11-4-3-9-19-11/h3-4,9-10,14H,5-8H2,1-2H3.
What are the key properties of methyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate?
methyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate has a molecular weight of 285.36 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate is sourced from PubChem (CID 82348695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).