oxalic acid;N-(3-phenylpropyl)hydroxylamine

C11H15NO5 — CID 134926910

IUPACoxalic acid;N-(3-phenylpropyl)hydroxylamine
SMILESO=C(O)C(=O)O.ONCCCc1ccccc1
InChIInChI=1S/C9H13NO.C2H2O4/c11-10-8-4-7-9-5-2-1-3-6-9;3-1(4)2(5)6/h1-3,5-6,10-11H,4,7-8H2;(H,3,4)(H,5,6)
InChIKeyCUDUWUSYUYANSN-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.75
Rot. Bonds4

About oxalic acid;N-(3-phenylpropyl)hydroxylamine

oxalic acid;N-(3-phenylpropyl)hydroxylamine (PubChem CID 134926910) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is oxalic acid;N-(3-phenylpropyl)hydroxylamine.

Molecular Properties

Compound Nameoxalic acid;N-(3-phenylpropyl)hydroxylamine
PubChem CID134926910
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Nameoxalic acid;N-(3-phenylpropyl)hydroxylamine
SMILESO=C(O)C(=O)O.ONCCCc1ccccc1
InChIInChI=1S/C9H13NO.C2H2O4/c11-10-8-4-7-9-5-2-1-3-6-9;3-1(4)2(5)6/h1-3,5-6,10-11H,4,7-8H2;(H,3,4)(H,5,6)
InChIKeyCUDUWUSYUYANSN-UHFFFAOYSA-N
XLogP0.75
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze oxalic acid;N-(3-phenylpropyl)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hydrazine, (3-phenylpropyl)-, ethanedioate (1:1)
CID 18808
Hydrazine, (1-methyl-3-phenylpropyl)-, ethanedioate (1:1)
CID 28621
Acetic acid--2-phenylethan-1-amine (1/1)
CID 71356629
{[(Phenylacetyl)amino]oxy}acetic acid
CID 817786
N-[(1S)-1-phenylethyl]hydroxylamine; oxalic acid
CID 11954986
3-Phenylpropan-1-amine;2,2,2-trifluoroacetic acid
CID 69685555
Benzeneethanamine trifluoroacetate
CID 86188649
(2-Phenylethylamino) 2,2,2-trifluoroacetate
CID 175581957
N-benzhydrylhydroxylamine;oxalic acid
CID 11197007
oxalic acid;N-(2-phenylethyl)hydroxylamine
CID 23635708
Benzylammonium copper oxalate
CID 129731604
N-benzylhydroxylamine;oxalic acid
CID 134994038

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-(3-phenylpropyl)hydroxylamine?
The IUPAC name of oxalic acid;N-(3-phenylpropyl)hydroxylamine (CID 134926910) is oxalic acid;N-(3-phenylpropyl)hydroxylamine.
What is the SMILES notation for oxalic acid;N-(3-phenylpropyl)hydroxylamine?
The canonical SMILES for oxalic acid;N-(3-phenylpropyl)hydroxylamine is O=C(O)C(=O)O.ONCCCc1ccccc1.
What is the InChIKey of oxalic acid;N-(3-phenylpropyl)hydroxylamine?
The InChIKey is CUDUWUSYUYANSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H2O4/c11-10-8-4-7-9-5-2-1-3-6-9;3-1(4)2(5)6/h1-3,5-6,10-11H,4,7-8H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-(3-phenylpropyl)hydroxylamine?
oxalic acid;N-(3-phenylpropyl)hydroxylamine has a molecular weight of 241.24 g/mol, XLogP of 0.75, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-(3-phenylpropyl)hydroxylamine is sourced from PubChem (CID 134926910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).