(2R)-2-amino-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid

C10H17N3O2S — CID 66153026

IUPAC(2R)-2-amino-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid
SMILESCCCn1cncc1CSC[C@H](N)C(=O)O
InChIInChI=1S/C10H17N3O2S/c1-2-3-13-7-12-4-8(13)5-16-6-9(11)10(14)15/h4,7,9H,2-3,5-6,11H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyUTGYHRAOXUUWJU-VIFPVBQESA-N
MW243.33 g/mol
LogP0.94
Rot. Bonds7

About (2R)-2-amino-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid

(2R)-2-amino-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid (PubChem CID 66153026) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is (2R)-2-amino-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid
PubChem CID66153026
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name(2R)-2-amino-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid
SMILESCCCn1cncc1CSC[C@H](N)C(=O)O
InChIInChI=1S/C10H17N3O2S/c1-2-3-13-7-12-4-8(13)5-16-6-9(11)10(14)15/h4,7,9H,2-3,5-6,11H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyUTGYHRAOXUUWJU-VIFPVBQESA-N
XLogP0.94
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid (CID 66153026) is (2R)-2-amino-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid is CCCn1cncc1CSC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid?
The InChIKey is UTGYHRAOXUUWJU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-3-13-7-12-4-8(13)5-16-6-9(11)10(14)15/h4,7,9H,2-3,5-6,11H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid?
(2R)-2-amino-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid has a molecular weight of 243.33 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 66153026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).