2-(4,5-dihydro-1H-imidazol-2-ylamino)-3-phenylpropanoic acid

C12H15N3O2 — CID 45075166

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylamino)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)NC1=NCCN1
InChIInChI=1S/C12H15N3O2/c16-11(17)10(15-12-13-6-7-14-12)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)(H2,13,14,15)
InChIKeyFNYYTNLJVGSLDA-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.23
Rot. Bonds4

About 2-(4,5-dihydro-1H-imidazol-2-ylamino)-3-phenylpropanoic acid

2-(4,5-dihydro-1H-imidazol-2-ylamino)-3-phenylpropanoic acid (PubChem CID 45075166) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylamino)-3-phenylpropanoic acid
PubChem CID45075166
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylamino)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)NC1=NCCN1
InChIInChI=1S/C12H15N3O2/c16-11(17)10(15-12-13-6-7-14-12)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)(H2,13,14,15)
InChIKeyFNYYTNLJVGSLDA-UHFFFAOYSA-N
XLogP0.23
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 446054
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CID 150964
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CID 6951135
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CID 92953
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CID 4657542
CID 4657542
CID 24755478
CID 24755478
CID 97415
CID 97415
CID 150903
CID 150903
CID 446056
CID 446056
CID 151410
CID 151410
CID 2999670
CID 2999670
CID 52941852
CID 52941852

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-3-phenylpropanoic acid?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-3-phenylpropanoic acid (CID 45075166) is 2-(4,5-dihydro-1H-imidazol-2-ylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylamino)-3-phenylpropanoic acid?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylamino)-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)NC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-3-phenylpropanoic acid?
The InChIKey is FNYYTNLJVGSLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-11(17)10(15-12-13-6-7-14-12)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)(H2,13,14,15).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-3-phenylpropanoic acid?
2-(4,5-dihydro-1H-imidazol-2-ylamino)-3-phenylpropanoic acid has a molecular weight of 233.27 g/mol, XLogP of 0.23, 4 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)-3-phenylpropanoic acid is sourced from PubChem (CID 45075166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).