5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid

C9H19NO4 — CID 19708159

IUPAC5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid
SMILESCC(C)(C)ONC(CCCO)C(=O)O
InChIInChI=1S/C9H19NO4/c1-9(2,3)14-10-7(8(12)13)5-4-6-11/h7,10-11H,4-6H2,1-3H3,(H,12,13)
InChIKeyMLJNCTCAQHFJGO-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.53
Rot. Bonds6

About 5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid

5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid (PubChem CID 19708159) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid
PubChem CID19708159
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid
SMILESCC(C)(C)ONC(CCCO)C(=O)O
InChIInChI=1S/C9H19NO4/c1-9(2,3)14-10-7(8(12)13)5-4-6-11/h7,10-11H,4-6H2,1-3H3,(H,12,13)
InChIKeyMLJNCTCAQHFJGO-UHFFFAOYSA-N
XLogP0.53
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 10728329
tert-butyl (2S)-4-(3-hydroxypropylsulfanyl)-2-[(2-methylpropan-2-yl)oxyamino]butanoate
CID 141281545
(5S)-2-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioic acid
CID 89439150
tert-butyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10062769
4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbamoyl]butanoic acid
CID 141135925
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
2-(methoxyamino)hexanoic acid
CID 103254320
2-(tert-butylamino)-4-hydroxybutanoic acid
CID 83695715
(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid
CID 54446615
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid
CID 137499743
2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid
CID 103267787
(2-cyano-6-hydroxy-2-methylhexan-3-yl)carbamic acid
CID 138487550

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid?
The IUPAC name of 5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid (CID 19708159) is 5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid.
What is the SMILES notation for 5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid?
The canonical SMILES for 5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid is CC(C)(C)ONC(CCCO)C(=O)O.
What is the InChIKey of 5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid?
The InChIKey is MLJNCTCAQHFJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-9(2,3)14-10-7(8(12)13)5-4-6-11/h7,10-11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid?
5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid has a molecular weight of 205.25 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid is sourced from PubChem (CID 19708159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).