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

C9H18N2O8 — CID 87661931

IUPACazane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxobutanoate;oxalic acid
SMILESCCOC(=O)C(C)(O)C(=O)CN.N.O=C(O)C(=O)O
InChIInChI=1S/C7H13NO4.C2H2O4.H3N/c1-3-12-6(10)7(2,11)5(9)4-8;3-1(4)2(5)6;/h11H,3-4,8H2,1-2H3;(H,3,4)(H,5,6);1H3
InChIKeyAAMDWNDCOSYGQA-UHFFFAOYSA-N
MW282.25 g/mol
LogP-1.85
Rot. Bonds4

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

azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxobutanoate;oxalic acid (PubChem CID 87661931) has the molecular formula C9H18N2O8 and a molecular weight of 282.25 g/mol. Its IUPAC name is azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxobutanoate;oxalic acid.

Molecular Properties

Compound Nameazane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxobutanoate;oxalic acid
PubChem CID87661931
Molecular FormulaC9H18N2O8
Molecular Weight282.25 g/mol
Exact Mass282.11
IUPAC Nameazane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxobutanoate;oxalic acid
SMILESCCOC(=O)C(C)(O)C(=O)CN.N.O=C(O)C(=O)O
InChIInChI=1S/C7H13NO4.C2H2O4.H3N/c1-3-12-6(10)7(2,11)5(9)4-8;3-1(4)2(5)6;/h11H,3-4,8H2,1-2H3;(H,3,4)(H,5,6);1H3
InChIKeyAAMDWNDCOSYGQA-UHFFFAOYSA-N
XLogP-1.85
TPSA199.22 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 5-1.85
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

ethyl 2,4-diamino-2-hydroxy-3-oxobutanoate
CID 88603843
azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid
CID 88603855
ethyl (2R)-2-hydroxy-2-methyl-3-oxobutanoate
CID 101013682
ethyl 2,2-dimethylpropanoate;2-oxopropanoic acid
CID 157432719
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
ethyl (2S)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoate
CID 131869499
2-ethoxycarbonyl-2-hydroxy-5,5-dimethyl-4-oxohexanoic acid
CID 134868896
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
3-ethoxycarbonyl-3-methyl-2-oxopentanoic acid
CID 19882273
diethyl 2,2-ditert-butylpropanedioate
CID 141391919
ethyl 2,2-bis(sulfanyl)propanoate
CID 88516276
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978

Frequently Asked Questions

What is the IUPAC name of azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxobutanoate;oxalic acid?
The IUPAC name of azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxobutanoate;oxalic acid (CID 87661931) is azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxobutanoate;oxalic acid.
What is the SMILES notation for azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxobutanoate;oxalic acid?
The canonical SMILES for azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxobutanoate;oxalic acid is CCOC(=O)C(C)(O)C(=O)CN.N.O=C(O)C(=O)O.
What is the InChIKey of azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxobutanoate;oxalic acid?
The InChIKey is AAMDWNDCOSYGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4.C2H2O4.H3N/c1-3-12-6(10)7(2,11)5(9)4-8;3-1(4)2(5)6;/h11H,3-4,8H2,1-2H3;(H,3,4)(H,5,6);1H3.
What are the key properties of azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxobutanoate;oxalic acid?
azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxobutanoate;oxalic acid has a molecular weight of 282.25 g/mol, XLogP of -1.85, 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-oxobutanoate;oxalic acid is sourced from PubChem (CID 87661931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).