2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid

C6H11N3O2 — CID 3154175

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid
SMILESCC(NC1=NCCN1)C(=O)O
InChIInChI=1S/C6H11N3O2/c1-4(5(10)11)9-6-7-2-3-8-6/h4H,2-3H2,1H3,(H,10,11)(H2,7,8,9)
InChIKeyAJSRGDZWHXLRQT-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.99
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid

2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid (PubChem CID 3154175) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid
PubChem CID3154175
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid
SMILESCC(NC1=NCCN1)C(=O)O
InChIInChI=1S/C6H11N3O2/c1-4(5(10)11)9-6-7-2-3-8-6/h4H,2-3H2,1H3,(H,10,11)(H2,7,8,9)
InChIKeyAJSRGDZWHXLRQT-UHFFFAOYSA-N
XLogP-0.99
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid (CID 3154175) is 2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid is CC(NC1=NCCN1)C(=O)O.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid?
The InChIKey is AJSRGDZWHXLRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-4(5(10)11)9-6-7-2-3-8-6/h4H,2-3H2,1H3,(H,10,11)(H2,7,8,9).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid?
2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid has a molecular weight of 157.17 g/mol, XLogP of -0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid is sourced from PubChem (CID 3154175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).