2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid

C14H21NO3S — CID 55123769

IUPAC2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)CCCc1cccs1)C(C)(C)C(=O)O
InChIInChI=1S/C14H21NO3S/c1-4-15(14(2,3)13(17)18)12(16)9-5-7-11-8-6-10-19-11/h6,8,10H,4-5,7,9H2,1-3H3,(H,17,18)
InChIKeyXRVLNJXTFNCJIU-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.78
Rot. Bonds7

About 2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid

2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid (PubChem CID 55123769) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid
PubChem CID55123769
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)CCCc1cccs1)C(C)(C)C(=O)O
InChIInChI=1S/C14H21NO3S/c1-4-15(14(2,3)13(17)18)12(16)9-5-7-11-8-6-10-19-11/h6,8,10H,4-5,7,9H2,1-3H3,(H,17,18)
InChIKeyXRVLNJXTFNCJIU-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 61261493
N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide
CID 78854172
2,2-dimethyl-5-thiophen-2-ylpentanoic acid
CID 10846225
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide
CID 79652321
4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid
CID 174398681
2-[tert-butyl(3-thiophen-2-ylpropyl)amino]-2-oxoacetic acid
CID 70791155
3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid
CID 60831568
N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide
CID 54979623
2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid
CID 55135864
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
2-methyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]butanoic acid
CID 79485922
N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide
CID 63391703

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid (CID 55123769) is 2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid is CCN(C(=O)CCCc1cccs1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid?
The InChIKey is XRVLNJXTFNCJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-15(14(2,3)13(17)18)12(16)9-5-7-11-8-6-10-19-11/h6,8,10H,4-5,7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid?
2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid has a molecular weight of 283.39 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55123769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).