(2R)-3-(1H-imidazol-5-yl)-2-(3-thiophen-2-ylpropanoylamino)propanoic acid

C13H15N3O3S — CID 104894182

IUPAC(2R)-3-(1H-imidazol-5-yl)-2-(3-thiophen-2-ylpropanoylamino)propanoic acid
SMILESO=C(CCc1cccs1)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C13H15N3O3S/c17-12(4-3-10-2-1-5-20-10)16-11(13(18)19)6-9-7-14-8-15-9/h1-2,5,7-8,11H,3-4,6H2,(H,14,15)(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyMLDVONRERPDCDJ-LLVKDONJSA-N
MW293.35 g/mol
LogP1.22
Rot. Bonds7

About (2R)-3-(1H-imidazol-5-yl)-2-(3-thiophen-2-ylpropanoylamino)propanoic acid

(2R)-3-(1H-imidazol-5-yl)-2-(3-thiophen-2-ylpropanoylamino)propanoic acid (PubChem CID 104894182) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is (2R)-3-(1H-imidazol-5-yl)-2-(3-thiophen-2-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-imidazol-5-yl)-2-(3-thiophen-2-ylpropanoylamino)propanoic acid
PubChem CID104894182
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name(2R)-3-(1H-imidazol-5-yl)-2-(3-thiophen-2-ylpropanoylamino)propanoic acid
SMILESO=C(CCc1cccs1)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C13H15N3O3S/c17-12(4-3-10-2-1-5-20-10)16-11(13(18)19)6-9-7-14-8-15-9/h1-2,5,7-8,11H,3-4,6H2,(H,14,15)(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyMLDVONRERPDCDJ-LLVKDONJSA-N
XLogP1.22
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-(3-thiophen-2-ylpropanoylamino)propanoic acid?
The IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-(3-thiophen-2-ylpropanoylamino)propanoic acid (CID 104894182) is (2R)-3-(1H-imidazol-5-yl)-2-(3-thiophen-2-ylpropanoylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(1H-imidazol-5-yl)-2-(3-thiophen-2-ylpropanoylamino)propanoic acid?
The canonical SMILES for (2R)-3-(1H-imidazol-5-yl)-2-(3-thiophen-2-ylpropanoylamino)propanoic acid is O=C(CCc1cccs1)N[C@H](Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2R)-3-(1H-imidazol-5-yl)-2-(3-thiophen-2-ylpropanoylamino)propanoic acid?
The InChIKey is MLDVONRERPDCDJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-12(4-3-10-2-1-5-20-10)16-11(13(18)19)6-9-7-14-8-15-9/h1-2,5,7-8,11H,3-4,6H2,(H,14,15)(H,16,17)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-3-(1H-imidazol-5-yl)-2-(3-thiophen-2-ylpropanoylamino)propanoic acid?
(2R)-3-(1H-imidazol-5-yl)-2-(3-thiophen-2-ylpropanoylamino)propanoic acid has a molecular weight of 293.35 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-imidazol-5-yl)-2-(3-thiophen-2-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 104894182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).