2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid

C13H17NO5S — CID 82787407

IUPAC2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCCc1ccc(C(=O)NC(CCC(=O)OC)C(=O)O)s1
InChIInChI=1S/C13H17NO5S/c1-3-8-4-6-10(20-8)12(16)14-9(13(17)18)5-7-11(15)19-2/h4,6,9H,3,5,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyBQFLQXSRESDJAP-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.45
Rot. Bonds7

About 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid

2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 82787407) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
PubChem CID82787407
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCCc1ccc(C(=O)NC(CCC(=O)OC)C(=O)O)s1
InChIInChI=1S/C13H17NO5S/c1-3-8-4-6-10(20-8)12(16)14-9(13(17)18)5-7-11(15)19-2/h4,6,9H,3,5,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyBQFLQXSRESDJAP-UHFFFAOYSA-N
XLogP1.45
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid
CID 107831637
2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43469771
(2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
CID 107820841
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 82780936
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
(2S)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820452
5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 82780991
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786310
methyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
CID 60860643
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
(2S)-5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]-5-oxopentanoic acid
CID 107820212
(2R)-2-[(2,6-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820571

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid (CID 82787407) is 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid is CCc1ccc(C(=O)NC(CCC(=O)OC)C(=O)O)s1.
What is the InChIKey of 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is BQFLQXSRESDJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-3-8-4-6-10(20-8)12(16)14-9(13(17)18)5-7-11(15)19-2/h4,6,9H,3,5,7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 299.35 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 82787407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).