2-amino-N'-hydroxy-3-phenylpropanimidamide

C9H13N3O — CID 24972923

IUPAC2-amino-N'-hydroxy-3-phenylpropanimidamide
SMILESN/C(=N\O)C(N)Cc1ccccc1
InChIInChI=1S/C9H13N3O/c10-8(9(11)12-13)6-7-4-2-1-3-5-7/h1-5,8,13H,6,10H2,(H2,11,12)
InChIKeyRDRXUSUVAHDVRJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.30
Rot. Bonds3

About 2-amino-N'-hydroxy-3-phenylpropanimidamide

2-amino-N'-hydroxy-3-phenylpropanimidamide (PubChem CID 24972923) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-amino-N'-hydroxy-3-phenylpropanimidamide.

Molecular Properties

Compound Name2-amino-N'-hydroxy-3-phenylpropanimidamide
PubChem CID24972923
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-amino-N'-hydroxy-3-phenylpropanimidamide
SMILESN/C(=N\O)C(N)Cc1ccccc1
InChIInChI=1S/C9H13N3O/c10-8(9(11)12-13)6-7-4-2-1-3-5-7/h1-5,8,13H,6,10H2,(H2,11,12)
InChIKeyRDRXUSUVAHDVRJ-UHFFFAOYSA-N
XLogP0.30
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-phenylpropanoic acid;nitrous acid
CID 54766273
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(3S)-1,3-diamino-4-phenylbutan-2-one
CID 69216452
3-amino-1,4-diphenylbutan-2-one
CID 20792391
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(diaminomethylideneamino) (2S)-2-amino-3-phenylpropanoate
CID 54398357
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-hydroxy-3-phenylpropanimidamide?
The IUPAC name of 2-amino-N'-hydroxy-3-phenylpropanimidamide (CID 24972923) is 2-amino-N'-hydroxy-3-phenylpropanimidamide.
What is the SMILES notation for 2-amino-N'-hydroxy-3-phenylpropanimidamide?
The canonical SMILES for 2-amino-N'-hydroxy-3-phenylpropanimidamide is N/C(=N\O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N'-hydroxy-3-phenylpropanimidamide?
The InChIKey is RDRXUSUVAHDVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-8(9(11)12-13)6-7-4-2-1-3-5-7/h1-5,8,13H,6,10H2,(H2,11,12).
What are the key properties of 2-amino-N'-hydroxy-3-phenylpropanimidamide?
2-amino-N'-hydroxy-3-phenylpropanimidamide has a molecular weight of 179.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-hydroxy-3-phenylpropanimidamide is sourced from PubChem (CID 24972923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).