(2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid

C6H12N2O4 — CID 22809795

IUPAC(2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid
SMILESCC(C[C@H](N)C(=O)O)C(=O)NO
InChIInChI=1S/C6H12N2O4/c1-3(5(9)8-12)2-4(7)6(10)11/h3-4,12H,2,7H2,1H3,(H,8,9)(H,10,11)/t3?,4-/m0/s1
InChIKeyQTXAXBWEQOBNEH-BKLSDQPFSA-N
MW176.17 g/mol
LogP-1.07
Rot. Bonds4

About (2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid

(2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid (PubChem CID 22809795) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is (2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid
PubChem CID22809795
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name(2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid
SMILESCC(C[C@H](N)C(=O)O)C(=O)NO
InChIInChI=1S/C6H12N2O4/c1-3(5(9)8-12)2-4(7)6(10)11/h3-4,12H,2,7H2,1H3,(H,8,9)(H,10,11)/t3?,4-/m0/s1
InChIKeyQTXAXBWEQOBNEH-BKLSDQPFSA-N
XLogP-1.07
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2,5-diamino-4-methyl-5-oxopentanoic acid
CID 87695522
2,5-diamino-4-methyl-5-oxopentanoic acid
CID 19418247
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
(2R)-2-amino-N-hydroxy-4-methylpentanamide
CID 6951121
2-amino-4-hydroxypentanoic acid
CID 14021586
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
N-hydroxy-2,4-dimethylhexanamide
CID 123944975
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid (CID 22809795) is (2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid is CC(C[C@H](N)C(=O)O)C(=O)NO.
What is the InChIKey of (2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid?
The InChIKey is QTXAXBWEQOBNEH-BKLSDQPFSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-3(5(9)8-12)2-4(7)6(10)11/h3-4,12H,2,7H2,1H3,(H,8,9)(H,10,11)/t3?,4-/m0/s1.
What are the key properties of (2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid?
(2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid has a molecular weight of 176.17 g/mol, XLogP of -1.07, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid is sourced from PubChem (CID 22809795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).