2-amino-5-(thiophene-2-carbonylamino)pentanoic acid

C10H14N2O3S — CID 67328801

IUPAC2-amino-5-(thiophene-2-carbonylamino)pentanoic acid
SMILESNC(CCCNC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C10H14N2O3S/c11-7(10(14)15)3-1-5-12-9(13)8-4-2-6-16-8/h2,4,6-7H,1,3,5,11H2,(H,12,13)(H,14,15)
InChIKeyLTQOXENSVYUZDG-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.67
Rot. Bonds6

About 2-amino-5-(thiophene-2-carbonylamino)pentanoic acid

2-amino-5-(thiophene-2-carbonylamino)pentanoic acid (PubChem CID 67328801) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-amino-5-(thiophene-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(thiophene-2-carbonylamino)pentanoic acid
PubChem CID67328801
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-amino-5-(thiophene-2-carbonylamino)pentanoic acid
SMILESNC(CCCNC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C10H14N2O3S/c11-7(10(14)15)3-1-5-12-9(13)8-4-2-6-16-8/h2,4,6-7H,1,3,5,11H2,(H,12,13)(H,14,15)
InChIKeyLTQOXENSVYUZDG-UHFFFAOYSA-N
XLogP0.67
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(thiophene-2-carbonylamino)pentanoic acid?
The IUPAC name of 2-amino-5-(thiophene-2-carbonylamino)pentanoic acid (CID 67328801) is 2-amino-5-(thiophene-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 2-amino-5-(thiophene-2-carbonylamino)pentanoic acid?
The canonical SMILES for 2-amino-5-(thiophene-2-carbonylamino)pentanoic acid is NC(CCCNC(=O)c1cccs1)C(=O)O.
What is the InChIKey of 2-amino-5-(thiophene-2-carbonylamino)pentanoic acid?
The InChIKey is LTQOXENSVYUZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c11-7(10(14)15)3-1-5-12-9(13)8-4-2-6-16-8/h2,4,6-7H,1,3,5,11H2,(H,12,13)(H,14,15).
What are the key properties of 2-amino-5-(thiophene-2-carbonylamino)pentanoic acid?
2-amino-5-(thiophene-2-carbonylamino)pentanoic acid has a molecular weight of 242.30 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(thiophene-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 67328801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).