5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid

C13H19NO3S — CID 119234391

IUPAC5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid
SMILESCC(C)(C(=O)NCCCCC(=O)O)c1cccs1
InChIInChI=1S/C13H19NO3S/c1-13(2,10-6-5-9-18-10)12(17)14-8-4-3-7-11(15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRZTGEOJVKIWJNS-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.40
Rot. Bonds7

About 5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid

5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid (PubChem CID 119234391) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid
PubChem CID119234391
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid
SMILESCC(C)(C(=O)NCCCCC(=O)O)c1cccs1
InChIInChI=1S/C13H19NO3S/c1-13(2,10-6-5-9-18-10)12(17)14-8-4-3-7-11(15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRZTGEOJVKIWJNS-UHFFFAOYSA-N
XLogP2.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]heptanoic acid
CID 119227273
N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 110698390
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]propanoic acid
CID 119249396
N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 111825074
3-[4-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]phenyl]propanoic acid
CID 119252211
N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 111485911
N-(2-amino-2-ethylbutyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 119642853
6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid
CID 119352357
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 62031946
N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 71972444
2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride
CID 67842906
7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid
CID 119227666

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid?
The IUPAC name of 5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid (CID 119234391) is 5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid?
The canonical SMILES for 5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid is CC(C)(C(=O)NCCCCC(=O)O)c1cccs1.
What is the InChIKey of 5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid?
The InChIKey is RZTGEOJVKIWJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-13(2,10-6-5-9-18-10)12(17)14-8-4-3-7-11(15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid?
5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid has a molecular weight of 269.37 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid is sourced from PubChem (CID 119234391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).