acetic acid;guanidine;lanthanum

C3H9LaN3O2 — CID 162180739

IUPACacetic acid;guanidine;lanthanum
SMILESCC(=O)O.[H]N=C(N)N.[La]
InChIInChI=1S/C2H4O2.CH5N3.La/c1-2(3)4;2-1(3)4;/h1H3,(H,3,4);(H5,2,3,4);
InChIKeyPMKUBWKBGUXOFP-UHFFFAOYSA-N
MW258.03 g/mol
LogP-1.07
Rot. Bonds

About acetic acid;guanidine;lanthanum

acetic acid;guanidine;lanthanum (PubChem CID 162180739) has the molecular formula C3H9LaN3O2 and a molecular weight of 258.03 g/mol. Its IUPAC name is acetic acid;guanidine;lanthanum.

Molecular Properties

Compound Nameacetic acid;guanidine;lanthanum
PubChem CID162180739
Molecular FormulaC3H9LaN3O2
Molecular Weight258.03 g/mol
Exact Mass257.98
IUPAC Nameacetic acid;guanidine;lanthanum
SMILESCC(=O)O.[H]N=C(N)N.[La]
InChIInChI=1S/C2H4O2.CH5N3.La/c1-2(3)4;2-1(3)4;/h1H3,(H,3,4);(H5,2,3,4);
InChIKeyPMKUBWKBGUXOFP-UHFFFAOYSA-N
XLogP-1.07
TPSA113.19 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.03
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 175088654
acetic acid;pentakis(guanidine)
CID 174792068
acetic acid;lanthanum
CID 4570825
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CID 174889925
acetic acid;dodecane;guanidine;phosphane
CID 175312281
acetic acid;carbamic acid;silane
CID 174514013
guanidine;oxalic acid
CID 18421375
acetic acid;methanediamine
CID 162329452
acetic acid;ethane-1,2-diamine;lanthanum;terbium
CID 174691220
disodium;guanidine;diacetate
CID 172858856
acetic acid
CID 158444727
acetic acid;guanidine;toluene
CID 160673337

Frequently Asked Questions

What is the IUPAC name of acetic acid;guanidine;lanthanum?
The IUPAC name of acetic acid;guanidine;lanthanum (CID 162180739) is acetic acid;guanidine;lanthanum.
What is the SMILES notation for acetic acid;guanidine;lanthanum?
The canonical SMILES for acetic acid;guanidine;lanthanum is CC(=O)O.[H]N=C(N)N.[La].
What is the InChIKey of acetic acid;guanidine;lanthanum?
The InChIKey is PMKUBWKBGUXOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CH5N3.La/c1-2(3)4;2-1(3)4;/h1H3,(H,3,4);(H5,2,3,4);.
What are the key properties of acetic acid;guanidine;lanthanum?
acetic acid;guanidine;lanthanum has a molecular weight of 258.03 g/mol, XLogP of -1.07, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;guanidine;lanthanum is sourced from PubChem (CID 162180739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).