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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Related Compounds

azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxobutanoate;oxalic acid
CID 87661931
amino 4-amino-2-hydroxy-2-methyl-3-oxopentanoate
CID 22160977
ethyl (2R)-2-hydroxy-2-methyl-3-oxobutanoate
CID 101013682
4-ethoxy-2,3,3-trimethyl-4-oxobutanoic acid
CID 22889431
2-methylpropanoic acid;triethyl 2-hydroxypropane-1,2,3-tricarboxylate
CID 88522773
ethyl 2,2-dimethylpropanoate;2-oxopropanoic acid
CID 157432719
ethyl 2,2,4-trimethyl-3-oxohexanoate
CID 63717246
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
ethyl (2S)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoate
CID 131869499
ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 131230217
ethyl 2-hydroxy-2,5-dimethyl-3-(2-methylpropyl)hexanoate
CID 114868881
ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate
CID 79616726

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).