amino 4-amino-2-hydroxy-2-methyl-3-oxopentanoate

C6H12N2O4 — CID 22160977

IUPACamino 4-amino-2-hydroxy-2-methyl-3-oxopentanoate
SMILESCC(N)C(=O)C(C)(O)C(=O)ON
InChIInChI=1S/C6H12N2O4/c1-3(7)4(9)6(2,11)5(10)12-8/h3,11H,7-8H2,1-2H3
InChIKeyCLOLJQHQHFKNLD-UHFFFAOYSA-N
MW176.17 g/mol
LogP-1.93
Rot. Bonds3

About amino 4-amino-2-hydroxy-2-methyl-3-oxopentanoate

amino 4-amino-2-hydroxy-2-methyl-3-oxopentanoate (PubChem CID 22160977) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is amino 4-amino-2-hydroxy-2-methyl-3-oxopentanoate.

Molecular Properties

Compound Nameamino 4-amino-2-hydroxy-2-methyl-3-oxopentanoate
PubChem CID22160977
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Nameamino 4-amino-2-hydroxy-2-methyl-3-oxopentanoate
SMILESCC(N)C(=O)C(C)(O)C(=O)ON
InChIInChI=1S/C6H12N2O4/c1-3(7)4(9)6(2,11)5(10)12-8/h3,11H,7-8H2,1-2H3
InChIKeyCLOLJQHQHFKNLD-UHFFFAOYSA-N
XLogP-1.93
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxopentanoate;oxalic acid
CID 88603855
(4R)-4-amino-2-hydroxy-2-methyl-3-oxopentanoate
CID 20832911
amino 2,2-diamino-3-methylbutanoate
CID 163836250
(2S)-2-aminopropanoic acid;polane
CID 173022618
tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
tert-butyl (4S)-2-hydroxy-2-methyl-4-(methylamino)-3-oxopentanoate
CID 87472628
ethyl 2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate
CID 140539209
amino 2-amino-2-hydroxybutanoate
CID 175534559
2,2-dimethylpropyl (2R)-2-aminopropanoate
CID 86662579
amino (2R)-2-amino-2-methylsulfanylpropanoate
CID 155479757
diamino 2,3-dimethylbutanedioate
CID 22892701

Frequently Asked Questions

What is the IUPAC name of amino 4-amino-2-hydroxy-2-methyl-3-oxopentanoate?
The IUPAC name of amino 4-amino-2-hydroxy-2-methyl-3-oxopentanoate (CID 22160977) is amino 4-amino-2-hydroxy-2-methyl-3-oxopentanoate.
What is the SMILES notation for amino 4-amino-2-hydroxy-2-methyl-3-oxopentanoate?
The canonical SMILES for amino 4-amino-2-hydroxy-2-methyl-3-oxopentanoate is CC(N)C(=O)C(C)(O)C(=O)ON.
What is the InChIKey of amino 4-amino-2-hydroxy-2-methyl-3-oxopentanoate?
The InChIKey is CLOLJQHQHFKNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-3(7)4(9)6(2,11)5(10)12-8/h3,11H,7-8H2,1-2H3.
What are the key properties of amino 4-amino-2-hydroxy-2-methyl-3-oxopentanoate?
amino 4-amino-2-hydroxy-2-methyl-3-oxopentanoate has a molecular weight of 176.17 g/mol, XLogP of -1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino 4-amino-2-hydroxy-2-methyl-3-oxopentanoate is sourced from PubChem (CID 22160977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).