4-[5-[amino(carboxy)methyl]thiophen-2-yl]butanoic acid

C10H13NO4S — CID 2832724

IUPAC4-[5-[amino(carboxy)methyl]thiophen-2-yl]butanoic acid
SMILESNC(C(=O)O)c1ccc(CCCC(=O)O)s1
InChIInChI=1S/C10H13NO4S/c11-9(10(14)15)7-5-4-6(16-7)2-1-3-8(12)13/h4-5,9H,1-3,11H2,(H,12,13)(H,14,15)
InChIKeyFAGCMZWUGYFFLT-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.24
Rot. Bonds6

About 4-[5-[amino(carboxy)methyl]thiophen-2-yl]butanoic acid

4-[5-[amino(carboxy)methyl]thiophen-2-yl]butanoic acid (PubChem CID 2832724) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-[5-[amino(carboxy)methyl]thiophen-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-[amino(carboxy)methyl]thiophen-2-yl]butanoic acid
PubChem CID2832724
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name4-[5-[amino(carboxy)methyl]thiophen-2-yl]butanoic acid
SMILESNC(C(=O)O)c1ccc(CCCC(=O)O)s1
InChIInChI=1S/C10H13NO4S/c11-9(10(14)15)7-5-4-6(16-7)2-1-3-8(12)13/h4-5,9H,1-3,11H2,(H,12,13)(H,14,15)
InChIKeyFAGCMZWUGYFFLT-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[amino(carboxy)methyl]thiophen-2-yl]butanoic acid?
The IUPAC name of 4-[5-[amino(carboxy)methyl]thiophen-2-yl]butanoic acid (CID 2832724) is 4-[5-[amino(carboxy)methyl]thiophen-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-[amino(carboxy)methyl]thiophen-2-yl]butanoic acid?
The canonical SMILES for 4-[5-[amino(carboxy)methyl]thiophen-2-yl]butanoic acid is NC(C(=O)O)c1ccc(CCCC(=O)O)s1.
What is the InChIKey of 4-[5-[amino(carboxy)methyl]thiophen-2-yl]butanoic acid?
The InChIKey is FAGCMZWUGYFFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c11-9(10(14)15)7-5-4-6(16-7)2-1-3-8(12)13/h4-5,9H,1-3,11H2,(H,12,13)(H,14,15).
What are the key properties of 4-[5-[amino(carboxy)methyl]thiophen-2-yl]butanoic acid?
4-[5-[amino(carboxy)methyl]thiophen-2-yl]butanoic acid has a molecular weight of 243.28 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[amino(carboxy)methyl]thiophen-2-yl]butanoic acid is sourced from PubChem (CID 2832724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).