oxalic acid;N-[(1S)-1-phenylethyl]hydroxylamine

C10H13NO5 — CID 11954986

IUPACoxalic acid;N-[(1S)-1-phenylethyl]hydroxylamine
SMILESC[C@H](NO)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C8H11NO.C2H2O4/c1-7(9-10)8-5-3-2-4-6-8;3-1(4)2(5)6/h2-7,9-10H,1H3;(H,3,4)(H,5,6)/t7-;/m0./s1
InChIKeyGUXMGLCOBSBIKH-FJXQXJEOSA-N
MW227.22 g/mol
LogP0.88
Rot. Bonds2

About oxalic acid;N-[(1S)-1-phenylethyl]hydroxylamine

oxalic acid;N-[(1S)-1-phenylethyl]hydroxylamine (PubChem CID 11954986) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is oxalic acid;N-[(1S)-1-phenylethyl]hydroxylamine.

Molecular Properties

Compound Nameoxalic acid;N-[(1S)-1-phenylethyl]hydroxylamine
PubChem CID11954986
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Nameoxalic acid;N-[(1S)-1-phenylethyl]hydroxylamine
SMILESC[C@H](NO)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C8H11NO.C2H2O4/c1-7(9-10)8-5-3-2-4-6-8;3-1(4)2(5)6/h2-7,9-10H,1H3;(H,3,4)(H,5,6)/t7-;/m0./s1
InChIKeyGUXMGLCOBSBIKH-FJXQXJEOSA-N
XLogP0.88
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-[(1S)-1-phenylethyl]hydroxylamine?
The IUPAC name of oxalic acid;N-[(1S)-1-phenylethyl]hydroxylamine (CID 11954986) is oxalic acid;N-[(1S)-1-phenylethyl]hydroxylamine.
What is the SMILES notation for oxalic acid;N-[(1S)-1-phenylethyl]hydroxylamine?
The canonical SMILES for oxalic acid;N-[(1S)-1-phenylethyl]hydroxylamine is C[C@H](NO)c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-[(1S)-1-phenylethyl]hydroxylamine?
The InChIKey is GUXMGLCOBSBIKH-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H11NO.C2H2O4/c1-7(9-10)8-5-3-2-4-6-8;3-1(4)2(5)6/h2-7,9-10H,1H3;(H,3,4)(H,5,6)/t7-;/m0./s1.
What are the key properties of oxalic acid;N-[(1S)-1-phenylethyl]hydroxylamine?
oxalic acid;N-[(1S)-1-phenylethyl]hydroxylamine has a molecular weight of 227.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-[(1S)-1-phenylethyl]hydroxylamine is sourced from PubChem (CID 11954986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).