2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid

C8H10ClNO2S — CID 115127738

IUPAC2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(Nc1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C8H10ClNO2S/c1-8(2,7(11)12)10-6-4-3-5(9)13-6/h3-4,10H,1-2H3,(H,11,12)
InChIKeyGFGCWUKVTIPDLE-UHFFFAOYSA-N
MW219.69 g/mol
LogP2.68
Rot. Bonds3

About 2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid

2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid (PubChem CID 115127738) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid
PubChem CID115127738
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(Nc1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C8H10ClNO2S/c1-8(2,7(11)12)10-6-4-3-5(9)13-6/h3-4,10H,1-2H3,(H,11,12)
InChIKeyGFGCWUKVTIPDLE-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chlorothiophen-2-yl)amino]-2,2-dimethylbutanoic acid
CID 115220996
4-[[(5-chlorothiophen-2-yl)amino]methyl]benzoic acid
CID 115221831
tert-butyl N-(5-chlorothiophen-2-yl)carbamate
CID 11601095
4-[(5-chlorothiophen-2-yl)amino]-3-hydroxybutanoic acid
CID 115122846
4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide
CID 115156873
4-[(5-chlorothiophen-2-yl)amino]butan-2-one
CID 115235367
N-(5-chlorothiophen-2-yl)-2-sulfanylacetamide
CID 115166906
methyl 2-[[(5-chlorothiophen-2-yl)amino]methyl]butanoate
CID 115252983
4-[(5-chlorothiophen-2-yl)methylamino]-3,3-dimethylbutanoic acid
CID 115220330
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119187381
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791657
2-methyl-2-[(5-methyl-1,3-thiazol-2-yl)amino]propanoic acid
CID 83831737

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid (CID 115127738) is 2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid is CC(C)(Nc1ccc(Cl)s1)C(=O)O.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is GFGCWUKVTIPDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-8(2,7(11)12)10-6-4-3-5(9)13-6/h3-4,10H,1-2H3,(H,11,12).
What are the key properties of 2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid?
2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 219.69 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 115127738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).