2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid

C10H18N6O4 — CID 21198651

IUPAC2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid
SMILESNC1=NCCN1CC(=O)O.NC1=NCCN1CC(=O)O
InChIInChI=1S/2C5H9N3O2/c2*6-5-7-1-2-8(5)3-4(9)10/h2*1-3H2,(H2,6,7)(H,9,10)
InChIKeyWBISTUASFKSUAY-UHFFFAOYSA-N
MW286.29 g/mol
LogP-2.60
Rot. Bonds4

About 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid

2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid (PubChem CID 21198651) has the molecular formula C10H18N6O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid
PubChem CID21198651
Molecular FormulaC10H18N6O4
Molecular Weight286.29 g/mol
Exact Mass286.14
IUPAC Name2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid
SMILESNC1=NCCN1CC(=O)O.NC1=NCCN1CC(=O)O
InChIInChI=1S/2C5H9N3O2/c2*6-5-7-1-2-8(5)3-4(9)10/h2*1-3H2,(H2,6,7)(H,9,10)
InChIKeyWBISTUASFKSUAY-UHFFFAOYSA-N
XLogP-2.60
TPSA157.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-2.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid (CID 21198651) is 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid is NC1=NCCN1CC(=O)O.NC1=NCCN1CC(=O)O.
What is the InChIKey of 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid?
The InChIKey is WBISTUASFKSUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H9N3O2/c2*6-5-7-1-2-8(5)3-4(9)10/h2*1-3H2,(H2,6,7)(H,9,10).
What are the key properties of 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid?
2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid has a molecular weight of 286.29 g/mol, XLogP of -2.60, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid is sourced from PubChem (CID 21198651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).