4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane

C6H14N2O4 — CID 173280031

IUPAC4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane
SMILESCCC(O)(C(=O)O)C(=O)CN.N
InChIInChI=1S/C6H11NO4.H3N/c1-2-6(11,5(9)10)4(8)3-7;/h11H,2-3,7H2,1H3,(H,9,10);1H3
InChIKeyVTUOUSXBTZMWQV-UHFFFAOYSA-N
MW178.19 g/mol
LogP-1.10
Rot. Bonds4

About 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane

4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane (PubChem CID 173280031) has the molecular formula C6H14N2O4 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane.

Molecular Properties

Compound Name4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane
PubChem CID173280031
Molecular FormulaC6H14N2O4
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC Name4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane
SMILESCCC(O)(C(=O)O)C(=O)CN.N
InChIInChI=1S/C6H11NO4.H3N/c1-2-6(11,5(9)10)4(8)3-7;/h11H,2-3,7H2,1H3,(H,9,10);1H3
InChIKeyVTUOUSXBTZMWQV-UHFFFAOYSA-N
XLogP-1.10
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid
CID 87110855
2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid
CID 174527382
2-ethyl-2-hydroxy-3,4-dioxobutanoic acid
CID 174981492
azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxobutanoate;oxalic acid
CID 87661931
(4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione
CID 124639866
azane;2,2-diethylbutanoic acid
CID 173369262
2-aminoacetic acid;ethanamine
CID 162171079
2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol
CID 134329051
2,2-bis(2-aminoacetyl)-3,3-diethoxybutanedioic acid
CID 135375880
2-ethoxycarbonyl-2-hydroxy-5,5-dimethyl-4-oxohexanoic acid
CID 134868896
ethyl 2,4-diamino-2-hydroxy-3-oxobutanoate
CID 88603843
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane?
The IUPAC name of 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane (CID 173280031) is 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane.
What is the SMILES notation for 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane?
The canonical SMILES for 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane is CCC(O)(C(=O)O)C(=O)CN.N.
What is the InChIKey of 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane?
The InChIKey is VTUOUSXBTZMWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4.H3N/c1-2-6(11,5(9)10)4(8)3-7;/h11H,2-3,7H2,1H3,(H,9,10);1H3.
What are the key properties of 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane?
4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane has a molecular weight of 178.19 g/mol, XLogP of -1.10, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane is sourced from PubChem (CID 173280031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).