3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid

C14H21NO3S — CID 119190248

IUPAC3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)C(C)c1cccs1
InChIInChI=1S/C14H21NO3S/c1-10(2)9-15(7-6-13(16)17)14(18)11(3)12-5-4-8-19-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyYHWLNXWYLXPUDE-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.81
Rot. Bonds7

About 3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid

3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid (PubChem CID 119190248) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid
PubChem CID119190248
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)C(C)c1cccs1
InChIInChI=1S/C14H21NO3S/c1-10(2)9-15(7-6-13(16)17)14(18)11(3)12-5-4-8-19-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyYHWLNXWYLXPUDE-UHFFFAOYSA-N
XLogP2.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115286709
methyl 2-thiophen-2-ylpropanoate
CID 12819459
3-[tert-butyl-(2-methyl-1-thiophen-2-ylpropyl)amino]propanoic acid
CID 65058621
3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119190564
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
3-[[3-(3-fluorophenyl)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoic acid
CID 119190319
2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid
CID 63065790
3-[2-(4-fluorophenoxy)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119189911
2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid
CID 55135864
4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
CID 62214541
4-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]butanoic acid
CID 55005745
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid?
The IUPAC name of 3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid (CID 119190248) is 3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid?
The canonical SMILES for 3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)C(C)c1cccs1.
What is the InChIKey of 3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid?
The InChIKey is YHWLNXWYLXPUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10(2)9-15(7-6-13(16)17)14(18)11(3)12-5-4-8-19-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of 3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid?
3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid has a molecular weight of 283.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 119190248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).