[(2R,4E)-4-carboxy-2-hydroxy-4-oxidoiminobutyl]azanium

C5H10N2O4 — CID 54718944

IUPAC[(2R,4E)-4-carboxy-2-hydroxy-4-oxidoiminobutyl]azanium
SMILES[NH3+]C[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-AMBGBCQPSA-N
MW162.14 g/mol
LogP-2.00
Rot. Bonds4

About [(2R,4E)-4-carboxy-2-hydroxy-4-oxidoiminobutyl]azanium

[(2R,4E)-4-carboxy-2-hydroxy-4-oxidoiminobutyl]azanium (PubChem CID 54718944) has the molecular formula C5H10N2O4 and a molecular weight of 162.14 g/mol. Its IUPAC name is [(2R,4E)-4-carboxy-2-hydroxy-4-oxidoiminobutyl]azanium.

Molecular Properties

Compound Name[(2R,4E)-4-carboxy-2-hydroxy-4-oxidoiminobutyl]azanium
PubChem CID54718944
Molecular FormulaC5H10N2O4
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name[(2R,4E)-4-carboxy-2-hydroxy-4-oxidoiminobutyl]azanium
SMILES[NH3+]C[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-AMBGBCQPSA-N
XLogP-2.00
TPSA120.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-oxidoiminobutanedioic acid
CID 141076392
(2E)-2-oxidoiminopentanedioic acid
CID 54724015
(2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid
CID 15030767
(4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid
CID 57348575
2-oxo-4-sulfanylpentanoic acid
CID 88696921
[(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium
CID 59088209
(4R,6R)-4,6,7-trihydroxy-2-oxoheptanoic acid
CID 131853402
(2S,5R)-2,6-bis(azaniumyl)-5-hydroxyhexanoate chloride
CID 139063890
[(1R)-2-azaniumyl-1-carboxyethyl]azanium
CID 102469878
carboxymethylazanium;tetrakis(oxygen(2-));rhenium
CID 139075871
(4R,5R)-4,5-dihydroxy-2-oxohexanoic acid
CID 5459929
4-hydroxy-2,5-dioxopentanoic acid
CID 163405135

Frequently Asked Questions

What is the IUPAC name of [(2R,4E)-4-carboxy-2-hydroxy-4-oxidoiminobutyl]azanium?
The IUPAC name of [(2R,4E)-4-carboxy-2-hydroxy-4-oxidoiminobutyl]azanium (CID 54718944) is [(2R,4E)-4-carboxy-2-hydroxy-4-oxidoiminobutyl]azanium.
What is the SMILES notation for [(2R,4E)-4-carboxy-2-hydroxy-4-oxidoiminobutyl]azanium?
The canonical SMILES for [(2R,4E)-4-carboxy-2-hydroxy-4-oxidoiminobutyl]azanium is [NH3+]C[C@H](O)C/C(=N\[O-])C(=O)O.
What is the InChIKey of [(2R,4E)-4-carboxy-2-hydroxy-4-oxidoiminobutyl]azanium?
The InChIKey is LRXIHGULRCOXMN-AMBGBCQPSA-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 [(2R,4E)-4-carboxy-2-hydroxy-4-oxidoiminobutyl]azanium?
[(2R,4E)-4-carboxy-2-hydroxy-4-oxidoiminobutyl]azanium has a molecular weight of 162.14 g/mol, XLogP of -2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4E)-4-carboxy-2-hydroxy-4-oxidoiminobutyl]azanium is sourced from PubChem (CID 54718944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).