3-[(thiophene-3-carbonylamino)methyl]pentanoic acid

C11H15NO3S — CID 81065539

IUPAC3-[(thiophene-3-carbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccsc1)CC(=O)O
InChIInChI=1S/C11H15NO3S/c1-2-8(5-10(13)14)6-12-11(15)9-3-4-16-7-9/h3-4,7-8H,2,5-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyBKBPCPIPXAJKCT-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.98
Rot. Bonds6

About 3-[(thiophene-3-carbonylamino)methyl]pentanoic acid

3-[(thiophene-3-carbonylamino)methyl]pentanoic acid (PubChem CID 81065539) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-[(thiophene-3-carbonylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name3-[(thiophene-3-carbonylamino)methyl]pentanoic acid
PubChem CID81065539
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name3-[(thiophene-3-carbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccsc1)CC(=O)O
InChIInChI=1S/C11H15NO3S/c1-2-8(5-10(13)14)6-12-11(15)9-3-4-16-7-9/h3-4,7-8H,2,5-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyBKBPCPIPXAJKCT-UHFFFAOYSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(thiophene-3-carbonylamino)methyl]pentanoic acid?
The IUPAC name of 3-[(thiophene-3-carbonylamino)methyl]pentanoic acid (CID 81065539) is 3-[(thiophene-3-carbonylamino)methyl]pentanoic acid.
What is the SMILES notation for 3-[(thiophene-3-carbonylamino)methyl]pentanoic acid?
The canonical SMILES for 3-[(thiophene-3-carbonylamino)methyl]pentanoic acid is CCC(CNC(=O)c1ccsc1)CC(=O)O.
What is the InChIKey of 3-[(thiophene-3-carbonylamino)methyl]pentanoic acid?
The InChIKey is BKBPCPIPXAJKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-2-8(5-10(13)14)6-12-11(15)9-3-4-16-7-9/h3-4,7-8H,2,5-6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-[(thiophene-3-carbonylamino)methyl]pentanoic acid?
3-[(thiophene-3-carbonylamino)methyl]pentanoic acid has a molecular weight of 241.31 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(thiophene-3-carbonylamino)methyl]pentanoic acid is sourced from PubChem (CID 81065539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).