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

C3H5N3O3 — CID 137274222

IUPAC(2Z)-3-amino-2-hydroxyimino-3-iminopropanoic acid
SMILES[H]/N=C(N)/C(=N/O)C(=O)O
InChIInChI=1S/C3H5N3O3/c4-2(5)1(6-9)3(7)8/h9H,(H3,4,5)(H,7,8)/b6-1-
InChIKeyZLMFKIAMJYCTBK-BHQIHCQQSA-N
MW131.09 g/mol
LogP-1.16
Rot. Bonds2

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

(2Z)-3-amino-2-hydroxyimino-3-iminopropanoic acid (PubChem CID 137274222) has the molecular formula C3H5N3O3 and a molecular weight of 131.09 g/mol. Its IUPAC name is (2Z)-3-amino-2-hydroxyimino-3-iminopropanoic acid.

Molecular Properties

Compound Name(2Z)-3-amino-2-hydroxyimino-3-iminopropanoic acid
PubChem CID137274222
Molecular FormulaC3H5N3O3
Molecular Weight131.09 g/mol
Exact Mass131.03
IUPAC Name(2Z)-3-amino-2-hydroxyimino-3-iminopropanoic acid
SMILES[H]/N=C(N)/C(=N/O)C(=O)O
InChIInChI=1S/C3H5N3O3/c4-2(5)1(6-9)3(7)8/h9H,(H3,4,5)(H,7,8)/b6-1-
InChIKeyZLMFKIAMJYCTBK-BHQIHCQQSA-N
XLogP-1.16
TPSA119.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (2Z)-3-amino-2-hydroxyimino-3-iminopropanoic acid?
The IUPAC name of (2Z)-3-amino-2-hydroxyimino-3-iminopropanoic acid (CID 137274222) is (2Z)-3-amino-2-hydroxyimino-3-iminopropanoic acid.
What is the SMILES notation for (2Z)-3-amino-2-hydroxyimino-3-iminopropanoic acid?
The canonical SMILES for (2Z)-3-amino-2-hydroxyimino-3-iminopropanoic acid is [H]/N=C(N)/C(=N/O)C(=O)O.
What is the InChIKey of (2Z)-3-amino-2-hydroxyimino-3-iminopropanoic acid?
The InChIKey is ZLMFKIAMJYCTBK-BHQIHCQQSA-N. The full InChI is InChI=1S/C3H5N3O3/c4-2(5)1(6-9)3(7)8/h9H,(H3,4,5)(H,7,8)/b6-1-.
What are the key properties of (2Z)-3-amino-2-hydroxyimino-3-iminopropanoic acid?
(2Z)-3-amino-2-hydroxyimino-3-iminopropanoic acid has a molecular weight of 131.09 g/mol, XLogP of -1.16, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-amino-2-hydroxyimino-3-iminopropanoic acid is sourced from PubChem (CID 137274222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).