CID 175912914

C5H11NO4Rb — CID 175912914

IUPAC—
SMILESCCC(C)(C(=O)O)N(O)O.[Rb]
InChIInChI=1S/C5H11NO4.Rb/c1-3-5(2,4(7)8)6(9)10;/h9-10H,3H2,1-2H3,(H,7,8);
InChIKeyXJXJFAHZLCNCFY-UHFFFAOYSA-N
MW234.61 g/mol
LogP-0.06
Rot. Bonds3

About CID 175912914

CID 175912914 (PubChem CID 175912914) has the molecular formula C5H11NO4Rb and a molecular weight of 234.61 g/mol.

Molecular Properties

Compound NameCID 175912914
PubChem CID175912914
Molecular FormulaC5H11NO4Rb
Molecular Weight234.61 g/mol
Exact Mass233.98
IUPAC Name—
SMILESCCC(C)(C(=O)O)N(O)O.[Rb]
InChIInChI=1S/C5H11NO4.Rb/c1-3-5(2,4(7)8)6(9)10;/h9-10H,3H2,1-2H3,(H,7,8);
InChIKeyXJXJFAHZLCNCFY-UHFFFAOYSA-N
XLogP-0.06
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.61
LogP ≤ 5-0.06
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

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CID 82238511
2-[(dihydroxyamino)methyl]-2-methylbutanoic acid
CID 133065164
2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid
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acetic acid;2-ethyl-2-methylpropane-1,3-diol
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cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
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3-hydroxy-2,2-dimethylpropanoic acid;silver
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Frequently Asked Questions

What is the IUPAC name of CID 175912914?
The IUPAC name of CID 175912914 (CID 175912914) is not available.
What is the SMILES notation for CID 175912914?
The canonical SMILES for CID 175912914 is CCC(C)(C(=O)O)N(O)O.[Rb].
What is the InChIKey of CID 175912914?
The InChIKey is XJXJFAHZLCNCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4.Rb/c1-3-5(2,4(7)8)6(9)10;/h9-10H,3H2,1-2H3,(H,7,8);.
What are the key properties of CID 175912914?
CID 175912914 has a molecular weight of 234.61 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175912914 is sourced from PubChem (CID 175912914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).