4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid

C13H19NO3S — CID 43240394

IUPAC4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid
SMILESCCc1sc(C(=O)N(C)CCCC(=O)O)cc1C
InChIInChI=1S/C13H19NO3S/c1-4-10-9(2)8-11(18-10)13(17)14(3)7-5-6-12(15)16/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyRDRBDOOPNMTMBI-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.56
Rot. Bonds6

About 4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid

4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid (PubChem CID 43240394) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid
PubChem CID43240394
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid
SMILESCCc1sc(C(=O)N(C)CCCC(=O)O)cc1C
InChIInChI=1S/C13H19NO3S/c1-4-10-9(2)8-11(18-10)13(17)14(3)7-5-6-12(15)16/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyRDRBDOOPNMTMBI-UHFFFAOYSA-N
XLogP2.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide
CID 119658907
4-[[5-(3-chlorophenyl)-4-methylthiophene-2-carbonyl]-methylamino]butanoic acid
CID 119347016
4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 110836782
methyl 4-[(4,5-dimethylthiophene-2-carbonyl)-methylamino]butanoate
CID 54940815
N-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide
CID 55469565
4-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl(methyl)amino]butanoic acid
CID 81269516
4-[(5-ethylthiophen-2-yl)methylcarbamoyl-methylamino]butanoic acid
CID 106005533
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 62044158
4-[methyl-(2,3,4,5,6-pentamethylbenzoyl)amino]butanoic acid
CID 43092358
4-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-methylamino]butanoic acid
CID 43092363
4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid
CID 103399966
4-(3,5-dimethylthiophen-2-yl)butanoic acid
CID 81157302

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid (CID 43240394) is 4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid is CCc1sc(C(=O)N(C)CCCC(=O)O)cc1C.
What is the InChIKey of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid?
The InChIKey is RDRBDOOPNMTMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-4-10-9(2)8-11(18-10)13(17)14(3)7-5-6-12(15)16/h8H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid?
4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid has a molecular weight of 269.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 43240394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).