(3Z)-3-amino-3-hydroxyimino-2-methylpropanoic acid

C4H8N2O3 — CID 89438334

IUPAC(3Z)-3-amino-3-hydroxyimino-2-methylpropanoic acid
SMILESCC(C(=O)O)/C(N)=N/O
InChIInChI=1S/C4H8N2O3/c1-2(4(7)8)3(5)6-9/h2,9H,1H3,(H2,5,6)(H,7,8)
InChIKeyLHMOEBBQEBWZPM-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.55
Rot. Bonds2

About (3Z)-3-amino-3-hydroxyimino-2-methylpropanoic acid

(3Z)-3-amino-3-hydroxyimino-2-methylpropanoic acid (PubChem CID 89438334) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-2-methylpropanoic acid.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-2-methylpropanoic acid
PubChem CID89438334
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name(3Z)-3-amino-3-hydroxyimino-2-methylpropanoic acid
SMILESCC(C(=O)O)/C(N)=N/O
InChIInChI=1S/C4H8N2O3/c1-2(4(7)8)3(5)6-9/h2,9H,1H3,(H2,5,6)(H,7,8)
InChIKeyLHMOEBBQEBWZPM-UHFFFAOYSA-N
XLogP-0.55
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.55
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-2-methylpropanoic acid?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-2-methylpropanoic acid (CID 89438334) is (3Z)-3-amino-3-hydroxyimino-2-methylpropanoic acid.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-2-methylpropanoic acid?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-2-methylpropanoic acid is CC(C(=O)O)/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-2-methylpropanoic acid?
The InChIKey is LHMOEBBQEBWZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c1-2(4(7)8)3(5)6-9/h2,9H,1H3,(H2,5,6)(H,7,8).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-2-methylpropanoic acid?
(3Z)-3-amino-3-hydroxyimino-2-methylpropanoic acid has a molecular weight of 132.12 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-2-methylpropanoic acid is sourced from PubChem (CID 89438334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).