azanide;3-hydroxypropanoic acid;2-methanidylpropane;niobium(3+)

C7H16NNbO3 — CID 175771118

IUPACazanide;3-hydroxypropanoic acid;2-methanidylpropane;niobium(3+)
SMILESO=C(O)C[CH-]O.[CH2-]C(C)C.[NH2-].[Nb+3]
InChIInChI=1S/C4H9.C3H5O3.H2N.Nb/c1-4(2)3;4-2-1-3(5)6;;/h4H,1H2,2-3H3;2,4H,1H2,(H,5,6);1H2;/q3*-1;+3
InChIKeyCEJMCIIURMZVNQ-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.19
Rot. Bonds2

About azanide;3-hydroxypropanoic acid;2-methanidylpropane;niobium(3+)

azanide;3-hydroxypropanoic acid;2-methanidylpropane;niobium(3+) (PubChem CID 175771118) has the molecular formula C7H16NNbO3 and a molecular weight of 255.11 g/mol. Its IUPAC name is azanide;3-hydroxypropanoic acid;2-methanidylpropane;niobium(3+).

Molecular Properties

Compound Nameazanide;3-hydroxypropanoic acid;2-methanidylpropane;niobium(3+)
PubChem CID175771118
Molecular FormulaC7H16NNbO3
Molecular Weight255.11 g/mol
Exact Mass255.02
IUPAC Nameazanide;3-hydroxypropanoic acid;2-methanidylpropane;niobium(3+)
SMILESO=C(O)C[CH-]O.[CH2-]C(C)C.[NH2-].[Nb+3]
InChIInChI=1S/C4H9.C3H5O3.H2N.Nb/c1-4(2)3;4-2-1-3(5)6;;/h4H,1H2,2-3H3;2,4H,1H2,(H,5,6);1H2;/q3*-1;+3
InChIKeyCEJMCIIURMZVNQ-UHFFFAOYSA-N
XLogP2.19
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-methylbutanoic acid
CID 20849036
alumane;tris(2-methanidylpropane);6-methylheptanoic acid;nickel(3+)
CID 175154497
argon;3-methylbutanoic acid
CID 158006921
CID 87948469
CID 87948469
CID 90459779
CID 90459779
strontium;hydride;3-methylpentanedioic acid
CID 173490798
hydrazine;3-methylbutanoic acid
CID 175217584
ethane-1,1-diol;hexanedioic acid
CID 160553867
sodium 2-methanidylpropanoic acid
CID 21356888
(3S,4S)-3-hydroxy-4-methyloctanoic acid
CID 70788967
4-hydroxy-3-methyloctanoic acid
CID 19371970
(3S)-3-methyl-4-oxopentanoic acid
CID 12576879

Frequently Asked Questions

What is the IUPAC name of azanide;3-hydroxypropanoic acid;2-methanidylpropane;niobium(3+)?
The IUPAC name of azanide;3-hydroxypropanoic acid;2-methanidylpropane;niobium(3+) (CID 175771118) is azanide;3-hydroxypropanoic acid;2-methanidylpropane;niobium(3+).
What is the SMILES notation for azanide;3-hydroxypropanoic acid;2-methanidylpropane;niobium(3+)?
The canonical SMILES for azanide;3-hydroxypropanoic acid;2-methanidylpropane;niobium(3+) is O=C(O)C[CH-]O.[CH2-]C(C)C.[NH2-].[Nb+3].
What is the InChIKey of azanide;3-hydroxypropanoic acid;2-methanidylpropane;niobium(3+)?
The InChIKey is CEJMCIIURMZVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.C3H5O3.H2N.Nb/c1-4(2)3;4-2-1-3(5)6;;/h4H,1H2,2-3H3;2,4H,1H2,(H,5,6);1H2;/q3*-1;+3.
What are the key properties of azanide;3-hydroxypropanoic acid;2-methanidylpropane;niobium(3+)?
azanide;3-hydroxypropanoic acid;2-methanidylpropane;niobium(3+) has a molecular weight of 255.11 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;3-hydroxypropanoic acid;2-methanidylpropane;niobium(3+) is sourced from PubChem (CID 175771118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).