azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid

C10H20N2O8 — CID 88603855

IUPACazane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid
SMILESCCOC(=O)C(C)(O)C(=O)C(C)N.N.O=C(O)C(=O)O
InChIInChI=1S/C8H15NO4.C2H2O4.H3N/c1-4-13-7(11)8(3,12)6(10)5(2)9;3-1(4)2(5)6;/h5,12H,4,9H2,1-3H3;(H,3,4)(H,5,6);1H3
InChIKeyRSQIYJIJZUKUAJ-UHFFFAOYSA-N
MW296.28 g/mol
LogP-1.47
Rot. Bonds4

About azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid

azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid (PubChem CID 88603855) has the molecular formula C10H20N2O8 and a molecular weight of 296.28 g/mol. Its IUPAC name is azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid.

Molecular Properties

Compound Nameazane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid
PubChem CID88603855
Molecular FormulaC10H20N2O8
Molecular Weight296.28 g/mol
Exact Mass296.12
IUPAC Nameazane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid
SMILESCCOC(=O)C(C)(O)C(=O)C(C)N.N.O=C(O)C(=O)O
InChIInChI=1S/C8H15NO4.C2H2O4.H3N/c1-4-13-7(11)8(3,12)6(10)5(2)9;3-1(4)2(5)6;/h5,12H,4,9H2,1-3H3;(H,3,4)(H,5,6);1H3
InChIKeyRSQIYJIJZUKUAJ-UHFFFAOYSA-N
XLogP-1.47
TPSA199.22 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-1.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid?
The IUPAC name of azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid (CID 88603855) is azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid.
What is the SMILES notation for azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid?
The canonical SMILES for azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid is CCOC(=O)C(C)(O)C(=O)C(C)N.N.O=C(O)C(=O)O.
What is the InChIKey of azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid?
The InChIKey is RSQIYJIJZUKUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4.C2H2O4.H3N/c1-4-13-7(11)8(3,12)6(10)5(2)9;3-1(4)2(5)6;/h5,12H,4,9H2,1-3H3;(H,3,4)(H,5,6);1H3.
What are the key properties of azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid?
azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid has a molecular weight of 296.28 g/mol, XLogP of -1.47, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid is sourced from PubChem (CID 88603855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).