4-amino-5-(4-carboxybutyl)thiophene-3-carboxylic acid

C10H13NO4S — CID 13055938

IUPAC4-amino-5-(4-carboxybutyl)thiophene-3-carboxylic acid
SMILESNc1c(C(=O)O)csc1CCCCC(=O)O
InChIInChI=1S/C10H13NO4S/c11-9-6(10(14)15)5-16-7(9)3-1-2-4-8(12)13/h5H,1-4,11H2,(H,12,13)(H,14,15)
InChIKeyKVSXSIJJFKEHQB-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.83
Rot. Bonds6

About 4-amino-5-(4-carboxybutyl)thiophene-3-carboxylic acid

4-amino-5-(4-carboxybutyl)thiophene-3-carboxylic acid (PubChem CID 13055938) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-amino-5-(4-carboxybutyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-(4-carboxybutyl)thiophene-3-carboxylic acid
PubChem CID13055938
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name4-amino-5-(4-carboxybutyl)thiophene-3-carboxylic acid
SMILESNc1c(C(=O)O)csc1CCCCC(=O)O
InChIInChI=1S/C10H13NO4S/c11-9-6(10(14)15)5-16-7(9)3-1-2-4-8(12)13/h5H,1-4,11H2,(H,12,13)(H,14,15)
InChIKeyKVSXSIJJFKEHQB-UHFFFAOYSA-N
XLogP1.83
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-5-(4-carboxybutyl)thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,4-diaminothiophen-2-yl)pentanoic acid;dihydrochloride
CID 169439331
5-(3,4-dibromothiophen-2-yl)pentanoic acid
CID 79602124
5-[4-carbonazidoyl-3-(ethoxycarbonylamino)thiophen-2-yl]pentanoic acid
CID 54446278
decanedioic acid;phthalic acid
CID 67564124
2-(17-carboxyheptadecyl)benzoic acid
CID 19770577
CID 87932920
CID 87932920
CID 131872623
CID 131872623
octanedioic acid;bis(1,3-thiazol-2-amine)
CID 139147698
8-[5-(4-carboxybutyl)thiophen-2-yl]octanoic acid
CID 4270643
5-(2-chlorothiophen-3-yl)pentanoic acid
CID 175926039
6-thiophen-3-ylhexanoic acid
CID 24722734
CID 176507879
CID 176507879

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-carboxybutyl)thiophene-3-carboxylic acid?
The IUPAC name of 4-amino-5-(4-carboxybutyl)thiophene-3-carboxylic acid (CID 13055938) is 4-amino-5-(4-carboxybutyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-(4-carboxybutyl)thiophene-3-carboxylic acid?
The canonical SMILES for 4-amino-5-(4-carboxybutyl)thiophene-3-carboxylic acid is Nc1c(C(=O)O)csc1CCCCC(=O)O.
What is the InChIKey of 4-amino-5-(4-carboxybutyl)thiophene-3-carboxylic acid?
The InChIKey is KVSXSIJJFKEHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c11-9-6(10(14)15)5-16-7(9)3-1-2-4-8(12)13/h5H,1-4,11H2,(H,12,13)(H,14,15).
What are the key properties of 4-amino-5-(4-carboxybutyl)thiophene-3-carboxylic acid?
4-amino-5-(4-carboxybutyl)thiophene-3-carboxylic acid has a molecular weight of 243.28 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-carboxybutyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 13055938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).