(2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid

C5H10N2O4 — CID 15030767

IUPAC(2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid
SMILESNC[C@H](O)C/C(=N/O)C(=O)O
InChIInChI=1S/C5H10N2O4/c6-2-3(8)1-4(7-11)5(9)10/h3,8,11H,1-2,6H2,(H,9,10)/b7-4-/t3-/m1/s1
InChIKeyLRXIHGULRCOXMN-RKERYQBXSA-N
MW162.14 g/mol
LogP-1.39
Rot. Bonds4

About (2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid

(2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid (PubChem CID 15030767) has the molecular formula C5H10N2O4 and a molecular weight of 162.14 g/mol. Its IUPAC name is (2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid.

Molecular Properties

Compound Name(2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid
PubChem CID15030767
Molecular FormulaC5H10N2O4
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name(2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid
SMILESNC[C@H](O)C/C(=N/O)C(=O)O
InChIInChI=1S/C5H10N2O4/c6-2-3(8)1-4(7-11)5(9)10/h3,8,11H,1-2,6H2,(H,9,10)/b7-4-/t3-/m1/s1
InChIKeyLRXIHGULRCOXMN-RKERYQBXSA-N
XLogP-1.39
TPSA116.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid?
The IUPAC name of (2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid (CID 15030767) is (2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid.
What is the SMILES notation for (2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid?
The canonical SMILES for (2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid is NC[C@H](O)C/C(=N/O)C(=O)O.
What is the InChIKey of (2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid?
The InChIKey is LRXIHGULRCOXMN-RKERYQBXSA-N. The full InChI is InChI=1S/C5H10N2O4/c6-2-3(8)1-4(7-11)5(9)10/h3,8,11H,1-2,6H2,(H,9,10)/b7-4-/t3-/m1/s1.
What are the key properties of (2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid?
(2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid has a molecular weight of 162.14 g/mol, XLogP of -1.39, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid is sourced from PubChem (CID 15030767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).