3-[(4-methylthiophene-3-carbonyl)amino]propanoic acid

C9H11NO3S — CID 79803215

IUPAC3-[(4-methylthiophene-3-carbonyl)amino]propanoic acid
SMILESCc1cscc1C(=O)NCCC(=O)O
InChIInChI=1S/C9H11NO3S/c1-6-4-14-5-7(6)9(13)10-3-2-8(11)12/h4-5H,2-3H2,1H3,(H,10,13)(H,11,12)
InChIKeyFIGNLPMSKYTYDK-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.26
Rot. Bonds4

About 3-[(4-methylthiophene-3-carbonyl)amino]propanoic acid

3-[(4-methylthiophene-3-carbonyl)amino]propanoic acid (PubChem CID 79803215) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-[(4-methylthiophene-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-methylthiophene-3-carbonyl)amino]propanoic acid
PubChem CID79803215
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name3-[(4-methylthiophene-3-carbonyl)amino]propanoic acid
SMILESCc1cscc1C(=O)NCCC(=O)O
InChIInChI=1S/C9H11NO3S/c1-6-4-14-5-7(6)9(13)10-3-2-8(11)12/h4-5H,2-3H2,1H3,(H,10,13)(H,11,12)
InChIKeyFIGNLPMSKYTYDK-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Propylthiophene-3-carboxamide
CID 23273494
3-[(5-Bromothiophen-3-yl)formamido]propanoic acid
CID 43354796
3-[(4-Bromothiophen-3-yl)formamido]propanoic acid
CID 178201063
3-[(2-Bromothiophen-3-yl)formamido]propanoic acid
CID 178201077
N-Butylthiophene-3-carboxamide
CID 12161492
(3S)-3-[(4-methylthiophene-3-carbonyl)amino]butanoic acid
CID 97049429
(2S)-4-methylsulfanyl-2-(thiophene-3-carbonylamino)butanoic acid
CID 21119038
3-[(Thiophene-3-carbonylamino)methyl]pentanoic acid
CID 81065539
(3R)-3-methyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 129372873
N-(3-Thienylcarbonyl)-DL-methionine
CID 113416
4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide
CID 99795521
N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiophene-3-carboxamide
CID 104858033

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylthiophene-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(4-methylthiophene-3-carbonyl)amino]propanoic acid (CID 79803215) is 3-[(4-methylthiophene-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-methylthiophene-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-methylthiophene-3-carbonyl)amino]propanoic acid is Cc1cscc1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[(4-methylthiophene-3-carbonyl)amino]propanoic acid?
The InChIKey is FIGNLPMSKYTYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-6-4-14-5-7(6)9(13)10-3-2-8(11)12/h4-5H,2-3H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 3-[(4-methylthiophene-3-carbonyl)amino]propanoic acid?
3-[(4-methylthiophene-3-carbonyl)amino]propanoic acid has a molecular weight of 213.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylthiophene-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 79803215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).