2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid

C12H17NO3S — CID 79802326

IUPAC2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid
SMILESCc1cscc1C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C12H17NO3S/c1-8(2)4-13(5-11(14)15)12(16)10-7-17-6-9(10)3/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyIORQPRCGRPGRQE-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.24
Rot. Bonds5

About 2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid

2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid (PubChem CID 79802326) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid
PubChem CID79802326
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid
SMILESCc1cscc1C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C12H17NO3S/c1-8(2)4-13(5-11(14)15)12(16)10-7-17-6-9(10)3/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyIORQPRCGRPGRQE-UHFFFAOYSA-N
XLogP2.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63071857
4-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 106610939
2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid
CID 120517223
2-[(2,3-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 114343332
2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62034804
2-[2-methylpropyl-(2,3,5-triiodobenzoyl)amino]acetic acid
CID 63405834
2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 107687977
2-[(3-methyl-1-phenylpyrazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 119193123
2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 103869280
2-[(4-methyl-1,2-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 66335852
2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 55133359
2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 120686044

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid (CID 79802326) is 2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid is Cc1cscc1C(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid?
The InChIKey is IORQPRCGRPGRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-8(2)4-13(5-11(14)15)12(16)10-7-17-6-9(10)3/h6-8H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid?
2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid has a molecular weight of 255.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 79802326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).