acetic acid;guanidine;1-phosphorosoethane

C5H14N3O3P — CID 174889925

IUPACacetic acid;guanidine;1-phosphorosoethane
SMILESCC(=O)O.CCP=O.[H]N=C(N)N
InChIInChI=1S/C2H4O2.C2H5OP.CH5N3/c1-2(3)4;1-2-4-3;2-1(3)4/h1H3,(H,3,4);2H2,1H3;(H5,2,3,4)
InChIKeyGUKXQZWDAURELH-UHFFFAOYSA-N
MW195.16 g/mol
LogP0.23
Rot. Bonds1

About acetic acid;guanidine;1-phosphorosoethane

acetic acid;guanidine;1-phosphorosoethane (PubChem CID 174889925) has the molecular formula C5H14N3O3P and a molecular weight of 195.16 g/mol. Its IUPAC name is acetic acid;guanidine;1-phosphorosoethane.

Molecular Properties

Compound Nameacetic acid;guanidine;1-phosphorosoethane
PubChem CID174889925
Molecular FormulaC5H14N3O3P
Molecular Weight195.16 g/mol
Exact Mass195.08
IUPAC Nameacetic acid;guanidine;1-phosphorosoethane
SMILESCC(=O)O.CCP=O.[H]N=C(N)N
InChIInChI=1S/C2H4O2.C2H5OP.CH5N3/c1-2(3)4;1-2-4-3;2-1(3)4/h1H3,(H,3,4);2H2,1H3;(H5,2,3,4)
InChIKeyGUKXQZWDAURELH-UHFFFAOYSA-N
XLogP0.23
TPSA130.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;octadecakis(guanidine)
CID 175088654
acetic acid;pentakis(guanidine)
CID 174792068
acetic acid;guanidine;lanthanum
CID 162180739
acetic acid;dodecane;guanidine;phosphane
CID 175312281
acetamide;acetic acid;ethanamine;propane
CID 160501368
guanidine;propanamide
CID 158320139
acetic acid;carbamic acid;silane
CID 174514013
acetic acid;azane;propane
CID 173127482
guanidine;oxalic acid
CID 18421375
acetic acid;methanediamine
CID 162329452
disodium;guanidine;diacetate
CID 172858856
acetic acid;ethyl carbamate
CID 157349378

Frequently Asked Questions

What is the IUPAC name of acetic acid;guanidine;1-phosphorosoethane?
The IUPAC name of acetic acid;guanidine;1-phosphorosoethane (CID 174889925) is acetic acid;guanidine;1-phosphorosoethane.
What is the SMILES notation for acetic acid;guanidine;1-phosphorosoethane?
The canonical SMILES for acetic acid;guanidine;1-phosphorosoethane is CC(=O)O.CCP=O.[H]N=C(N)N.
What is the InChIKey of acetic acid;guanidine;1-phosphorosoethane?
The InChIKey is GUKXQZWDAURELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.C2H5OP.CH5N3/c1-2(3)4;1-2-4-3;2-1(3)4/h1H3,(H,3,4);2H2,1H3;(H5,2,3,4).
What are the key properties of acetic acid;guanidine;1-phosphorosoethane?
acetic acid;guanidine;1-phosphorosoethane has a molecular weight of 195.16 g/mol, XLogP of 0.23, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;guanidine;1-phosphorosoethane is sourced from PubChem (CID 174889925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).