3-amino-3-(2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propanoic acid

C10H15N3O2 — CID 112546054

IUPAC3-amino-3-(2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propanoic acid
SMILESCc1nc2n(c1C(N)CC(=O)O)CCC2
InChIInChI=1S/C10H15N3O2/c1-6-10(7(11)5-9(14)15)13-4-2-3-8(13)12-6/h7H,2-5,11H2,1H3,(H,14,15)
InChIKeyJDFCNQZVDKTGLF-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.61
Rot. Bonds3

About 3-amino-3-(2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propanoic acid

3-amino-3-(2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propanoic acid (PubChem CID 112546054) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-amino-3-(2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propanoic acid
PubChem CID112546054
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-amino-3-(2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propanoic acid
SMILESCc1nc2n(c1C(N)CC(=O)O)CCC2
InChIInChI=1S/C10H15N3O2/c1-6-10(7(11)5-9(14)15)13-4-2-3-8(13)12-6/h7H,2-5,11H2,1H3,(H,14,15)
InChIKeyJDFCNQZVDKTGLF-UHFFFAOYSA-N
XLogP0.61
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propanoic acid?
The IUPAC name of 3-amino-3-(2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propanoic acid (CID 112546054) is 3-amino-3-(2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propanoic acid is Cc1nc2n(c1C(N)CC(=O)O)CCC2.
What is the InChIKey of 3-amino-3-(2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propanoic acid?
The InChIKey is JDFCNQZVDKTGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-10(7(11)5-9(14)15)13-4-2-3-8(13)12-6/h7H,2-5,11H2,1H3,(H,14,15).
What are the key properties of 3-amino-3-(2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propanoic acid?
3-amino-3-(2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propanoic acid is sourced from PubChem (CID 112546054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).