3-[5-(methylcarbamoyl)thiophen-2-yl]propanoic acid

C9H11NO3S — CID 175729624

IUPAC3-[5-(methylcarbamoyl)thiophen-2-yl]propanoic acid
SMILESCNC(=O)c1ccc(CCC(=O)O)s1
InChIInChI=1S/C9H11NO3S/c1-10-9(13)7-4-2-6(14-7)3-5-8(11)12/h2,4H,3,5H2,1H3,(H,10,13)(H,11,12)
InChIKeyFIWAPLIWBSPRHL-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.12
Rot. Bonds4

About 3-[5-(methylcarbamoyl)thiophen-2-yl]propanoic acid

3-[5-(methylcarbamoyl)thiophen-2-yl]propanoic acid (PubChem CID 175729624) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-[5-(methylcarbamoyl)thiophen-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(methylcarbamoyl)thiophen-2-yl]propanoic acid
PubChem CID175729624
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name3-[5-(methylcarbamoyl)thiophen-2-yl]propanoic acid
SMILESCNC(=O)c1ccc(CCC(=O)O)s1
InChIInChI=1S/C9H11NO3S/c1-10-9(13)7-4-2-6(14-7)3-5-8(11)12/h2,4H,3,5H2,1H3,(H,10,13)(H,11,12)
InChIKeyFIWAPLIWBSPRHL-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-formylthiophen-2-yl)propanoic acid
CID 15115397
6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43170039
5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82009173
6-[5-(N-hydroxy-C-methylcarbonimidoyl)thiophen-2-yl]hexanoic acid
CID 593072
2-N-tert-butyl-5-N-methylthiophene-2,5-dicarboxamide
CID 138743151
(2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid
CID 107831637
8-[5-(4-carboxybutyl)thiophen-2-yl]octanoic acid
CID 4270643
5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid
CID 84680344
3-[5-(azidomethyl)thiophen-2-yl]propanoic acid
CID 167729397
methyl 5-propylthiophene-2-carboxylate
CID 14933665
methyl 5-(2-hydroxyethyl)thiophene-2-carboxylate
CID 10845237
3-[4-(methylaminomethyl)phenyl]propanoic acid
CID 138583919

Frequently Asked Questions

What is the IUPAC name of 3-[5-(methylcarbamoyl)thiophen-2-yl]propanoic acid?
The IUPAC name of 3-[5-(methylcarbamoyl)thiophen-2-yl]propanoic acid (CID 175729624) is 3-[5-(methylcarbamoyl)thiophen-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(methylcarbamoyl)thiophen-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(methylcarbamoyl)thiophen-2-yl]propanoic acid is CNC(=O)c1ccc(CCC(=O)O)s1.
What is the InChIKey of 3-[5-(methylcarbamoyl)thiophen-2-yl]propanoic acid?
The InChIKey is FIWAPLIWBSPRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-10-9(13)7-4-2-6(14-7)3-5-8(11)12/h2,4H,3,5H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 3-[5-(methylcarbamoyl)thiophen-2-yl]propanoic acid?
3-[5-(methylcarbamoyl)thiophen-2-yl]propanoic acid has a molecular weight of 213.26 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methylcarbamoyl)thiophen-2-yl]propanoic acid is sourced from PubChem (CID 175729624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).