4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid

C12H17NO4S — CID 114006203

IUPAC4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCCc1sc(C(=O)NCCC(O)C(=O)O)cc1C
InChIInChI=1S/C12H17NO4S/c1-3-9-7(2)6-10(18-9)11(15)13-5-4-8(14)12(16)17/h6,8,14H,3-5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyDCSDXXGJFMADNT-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.18
Rot. Bonds6

About 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid

4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid (PubChem CID 114006203) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
PubChem CID114006203
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCCc1sc(C(=O)NCCC(O)C(=O)O)cc1C
InChIInChI=1S/C12H17NO4S/c1-3-9-7(2)6-10(18-9)11(15)13-5-4-8(14)12(16)17/h6,8,14H,3-5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyDCSDXXGJFMADNT-UHFFFAOYSA-N
XLogP1.18
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834625
5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide
CID 115701533
N-(3,3-difluoro-2-hydroxypropyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 113258539
(2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 107563412
N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 119627644
5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide
CID 80711832
ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate
CID 60728044
N-[(2S)-1-aminopropan-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 120506339
5-ethyl-4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
CID 56781987
4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832289
(2S)-2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid
CID 107834372
2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid
CID 107832176

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid (CID 114006203) is 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid is CCc1sc(C(=O)NCCC(O)C(=O)O)cc1C.
What is the InChIKey of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid?
The InChIKey is DCSDXXGJFMADNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-3-9-7(2)6-10(18-9)11(15)13-5-4-8(14)12(16)17/h6,8,14H,3-5H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid?
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 114006203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).