4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid

C11H15NO4S — CID 62479640

IUPAC4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1sccc1C)C(=O)O
InChIInChI=1S/C11H15NO4S/c1-7-4-6-17-9(7)10(13)12-8(11(14)15)3-5-16-2/h4,6,8H,3,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyQSOHKFAWGXWOKZ-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.28
Rot. Bonds6

About 4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid

4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid (PubChem CID 62479640) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
PubChem CID62479640
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1sccc1C)C(=O)O
InChIInChI=1S/C11H15NO4S/c1-7-4-6-17-9(7)10(13)12-8(11(14)15)3-5-16-2/h4,6,8H,3,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyQSOHKFAWGXWOKZ-UHFFFAOYSA-N
XLogP1.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromothiophene-2-carbonyl)amino]-4-methoxybutanoic acid
CID 63804280
(2S)-2-[(3-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 93031782
2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
CID 43387169
N-[(2R)-1-methoxypropan-2-yl]-3-methylthiophene-2-carboxamide
CID 51969435
N-(1-bromo-3-methoxypropan-2-yl)-3-methylthiophene-2-carboxamide
CID 106184353
4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
CID 120703108
(4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 95332881
(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 107564389
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213
2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568
2-[(5-bromothiophene-2-carbonyl)amino]-4-methoxybutanoic acid
CID 62478929
(2S)-2-[(3-bromothiophene-2-carbonyl)amino]-5-ethoxy-5-oxopentanoic acid
CID 107039188

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid (CID 62479640) is 4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid is COCCC(NC(=O)c1sccc1C)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid?
The InChIKey is QSOHKFAWGXWOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-7-4-6-17-9(7)10(13)12-8(11(14)15)3-5-16-2/h4,6,8H,3,5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid?
4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 62479640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).