2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid

C17H20N2O3S — CID 120517223

IUPAC2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid
SMILESCc1nc(-c2ccsc2)ccc1C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C17H20N2O3S/c1-11(2)8-19(9-16(20)21)17(22)14-4-5-15(18-12(14)3)13-6-7-23-10-13/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)
InChIKeyPRBJVHHDXZUXBS-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.30
Rot. Bonds6

About 2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid

2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid (PubChem CID 120517223) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid
PubChem CID120517223
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid
SMILESCc1nc(-c2ccsc2)ccc1C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C17H20N2O3S/c1-11(2)8-19(9-16(20)21)17(22)14-4-5-15(18-12(14)3)13-6-7-23-10-13/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)
InChIKeyPRBJVHHDXZUXBS-UHFFFAOYSA-N
XLogP3.30
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid
CID 79802326
2-methyl-N-[2-(methylamino)ethyl]-6-thiophen-3-ylpyridine-3-carboxamide
CID 119500262
2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid
CID 120519701
2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 119192837
2-[(2,3-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 114343332
1-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 120530498
2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 63069932
2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63071857
2-[(3-methyl-1-phenylpyrazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 119193123
2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 60832046
2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62034804
2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 81361462

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid (CID 120517223) is 2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid is Cc1nc(-c2ccsc2)ccc1C(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid?
The InChIKey is PRBJVHHDXZUXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11(2)8-19(9-16(20)21)17(22)14-4-5-15(18-12(14)3)13-6-7-23-10-13/h4-7,10-11H,8-9H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid?
2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid has a molecular weight of 332.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 120517223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).