2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid

C11H16N2O3S — CID 43646110

IUPAC2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCc1ccsc1)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-2-3-9(10(14)15)13-11(16)12-6-8-4-5-17-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyXBMOJQQFHCUSJM-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.80
Rot. Bonds6

About 2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid

2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid (PubChem CID 43646110) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid
PubChem CID43646110
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCc1ccsc1)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-2-3-9(10(14)15)13-11(16)12-6-8-4-5-17-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyXBMOJQQFHCUSJM-UHFFFAOYSA-N
XLogP1.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid (CID 43646110) is 2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid is CCCC(NC(=O)NCc1ccsc1)C(=O)O.
What is the InChIKey of 2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid?
The InChIKey is XBMOJQQFHCUSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-3-9(10(14)15)13-11(16)12-6-8-4-5-17-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid?
2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 43646110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).