(2S)-2-(2-aminoethoxy)-3-(1-propylimidazol-4-yl)propanoic acid

C11H19N3O3 — CID 46225030

IUPAC(2S)-2-(2-aminoethoxy)-3-(1-propylimidazol-4-yl)propanoic acid
SMILESCCCn1cnc(C[C@H](OCCN)C(=O)O)c1
InChIInChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyJAMWMFGAEKLEEJ-JTQLQIEISA-N
MW241.29 g/mol
LogP0.26
Rot. Bonds8

About (2S)-2-(2-aminoethoxy)-3-(1-propylimidazol-4-yl)propanoic acid

(2S)-2-(2-aminoethoxy)-3-(1-propylimidazol-4-yl)propanoic acid (PubChem CID 46225030) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S)-2-(2-aminoethoxy)-3-(1-propylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-aminoethoxy)-3-(1-propylimidazol-4-yl)propanoic acid
PubChem CID46225030
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(2S)-2-(2-aminoethoxy)-3-(1-propylimidazol-4-yl)propanoic acid
SMILESCCCn1cnc(C[C@H](OCCN)C(=O)O)c1
InChIInChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyJAMWMFGAEKLEEJ-JTQLQIEISA-N
XLogP0.26
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-aminoethoxy)-3-(1-propylimidazol-4-yl)propanoic acid?
The IUPAC name of (2S)-2-(2-aminoethoxy)-3-(1-propylimidazol-4-yl)propanoic acid (CID 46225030) is (2S)-2-(2-aminoethoxy)-3-(1-propylimidazol-4-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(2-aminoethoxy)-3-(1-propylimidazol-4-yl)propanoic acid?
The canonical SMILES for (2S)-2-(2-aminoethoxy)-3-(1-propylimidazol-4-yl)propanoic acid is CCCn1cnc(C[C@H](OCCN)C(=O)O)c1.
What is the InChIKey of (2S)-2-(2-aminoethoxy)-3-(1-propylimidazol-4-yl)propanoic acid?
The InChIKey is JAMWMFGAEKLEEJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-(2-aminoethoxy)-3-(1-propylimidazol-4-yl)propanoic acid?
(2S)-2-(2-aminoethoxy)-3-(1-propylimidazol-4-yl)propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-aminoethoxy)-3-(1-propylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 46225030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).