(Z)-[(1S)-1-carboxy-2-methylpropyl]-hydroxyimino-oxidoazanium

C5H10N2O4 — CID 136633627

IUPAC(Z)-[(1S)-1-carboxy-2-methylpropyl]-hydroxyimino-oxidoazanium
SMILESCC(C)[C@@H](C(=O)O)/[N+]([O-])=N/O
InChIInChI=1S/C5H10N2O4/c1-3(2)4(5(8)9)7(11)6-10/h3-4,10H,1-2H3,(H,8,9)/b7-6-/t4-/m0/s1
InChIKeyFYNYHYOHUWINEL-GQBARPDMSA-N
MW162.14 g/mol
LogP0.45
Rot. Bonds3

About (Z)-[(1S)-1-carboxy-2-methylpropyl]-hydroxyimino-oxidoazanium

(Z)-[(1S)-1-carboxy-2-methylpropyl]-hydroxyimino-oxidoazanium (PubChem CID 136633627) has the molecular formula C5H10N2O4 and a molecular weight of 162.14 g/mol. Its IUPAC name is (Z)-[(1S)-1-carboxy-2-methylpropyl]-hydroxyimino-oxidoazanium.

Molecular Properties

Compound Name(Z)-[(1S)-1-carboxy-2-methylpropyl]-hydroxyimino-oxidoazanium
PubChem CID136633627
Molecular FormulaC5H10N2O4
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name(Z)-[(1S)-1-carboxy-2-methylpropyl]-hydroxyimino-oxidoazanium
SMILESCC(C)[C@@H](C(=O)O)/[N+]([O-])=N/O
InChIInChI=1S/C5H10N2O4/c1-3(2)4(5(8)9)7(11)6-10/h3-4,10H,1-2H3,(H,8,9)/b7-6-/t4-/m0/s1
InChIKeyFYNYHYOHUWINEL-GQBARPDMSA-N
XLogP0.45
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-[(1S)-1-carboxy-2-methylpropyl]-hydroxyimino-oxidoazanium?
The IUPAC name of (Z)-[(1S)-1-carboxy-2-methylpropyl]-hydroxyimino-oxidoazanium (CID 136633627) is (Z)-[(1S)-1-carboxy-2-methylpropyl]-hydroxyimino-oxidoazanium.
What is the SMILES notation for (Z)-[(1S)-1-carboxy-2-methylpropyl]-hydroxyimino-oxidoazanium?
The canonical SMILES for (Z)-[(1S)-1-carboxy-2-methylpropyl]-hydroxyimino-oxidoazanium is CC(C)[C@@H](C(=O)O)/[N+]([O-])=N/O.
What is the InChIKey of (Z)-[(1S)-1-carboxy-2-methylpropyl]-hydroxyimino-oxidoazanium?
The InChIKey is FYNYHYOHUWINEL-GQBARPDMSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-3(2)4(5(8)9)7(11)6-10/h3-4,10H,1-2H3,(H,8,9)/b7-6-/t4-/m0/s1.
What are the key properties of (Z)-[(1S)-1-carboxy-2-methylpropyl]-hydroxyimino-oxidoazanium?
(Z)-[(1S)-1-carboxy-2-methylpropyl]-hydroxyimino-oxidoazanium has a molecular weight of 162.14 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[(1S)-1-carboxy-2-methylpropyl]-hydroxyimino-oxidoazanium is sourced from PubChem (CID 136633627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).