2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid

C14H21NO3S — CID 55135864

IUPAC2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCCc1cccs1
InChIInChI=1S/C14H21NO3S/c1-11(2)9-15(10-14(17)18)13(16)7-3-5-12-6-4-8-19-12/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,17,18)
InChIKeyDFOXFMNFJFMJBE-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.64
Rot. Bonds8

About 2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid

2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid (PubChem CID 55135864) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid
PubChem CID55135864
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCCc1cccs1
InChIInChI=1S/C14H21NO3S/c1-11(2)9-15(10-14(17)18)13(16)7-3-5-12-6-4-8-19-12/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,17,18)
InChIKeyDFOXFMNFJFMJBE-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methylpropyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 62034269
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 3581124
2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid
CID 63065790
3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid
CID 60831568
N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide
CID 54979623
N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide
CID 78854172
2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid
CID 62033173
N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide
CID 78781430
2-[4-(1H-indol-3-yl)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119192587
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119192768
2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid (CID 55135864) is 2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)CCCc1cccs1.
What is the InChIKey of 2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid?
The InChIKey is DFOXFMNFJFMJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11(2)9-15(10-14(17)18)13(16)7-3-5-12-6-4-8-19-12/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid?
2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid has a molecular weight of 283.39 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid is sourced from PubChem (CID 55135864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).