benzenecarboximidamide;propanoic acid

C10H14N2O2 — CID 159833627

IUPACbenzenecarboximidamide;propanoic acid
SMILESCCC(=O)O.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C7H8N2.C3H6O2/c8-7(9)6-4-2-1-3-5-6;1-2-3(4)5/h1-5H,(H3,8,9);2H2,1H3,(H,4,5)
InChIKeyNNTQAYFHBMPEOD-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.45
Rot. Bonds2

About benzenecarboximidamide;propanoic acid

benzenecarboximidamide;propanoic acid (PubChem CID 159833627) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is benzenecarboximidamide;propanoic acid.

Molecular Properties

Compound Namebenzenecarboximidamide;propanoic acid
PubChem CID159833627
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namebenzenecarboximidamide;propanoic acid
SMILESCCC(=O)O.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C7H8N2.C3H6O2/c8-7(9)6-4-2-1-3-5-6;1-2-3(4)5/h1-5H,(H3,8,9);2H2,1H3,(H,4,5)
InChIKeyNNTQAYFHBMPEOD-UHFFFAOYSA-N
XLogP1.45
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzenecarboximidamide;propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzenecarboximidamide;sulfane
CID 172701796
benzenecarboximidamide;hydron;chloride
CID 66824376
benzenecarboximidamide;toluene
CID 158219006
benzenecarboximidamide;trimethylsulfanium;chloride
CID 158339380
benzenecarboximidamide;1H-pyrrole
CID 158593667
trisodium;benzenecarboximidamide;phosphate
CID 23196456
ethane;4-phenylbenzenecarboximidamide
CID 91221015
benzenecarboximidamide;2,5-diphenyl-1H-imidazole;ethane;methanol;1-phenylpropan-1-one
CID 157191834
benzenecarboximidamide;2-bromo-1-(4-methylsulfonylphenyl)ethanone
CID 160887992
benzenecarboximidamide;(4-phenylphenyl)methanamine
CID 145327292
ethane;1-(2-hydroxyphenyl)ethanone;methane;bis(4-phenylbenzenecarboximidamide);propane
CID 160774903
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107

Frequently Asked Questions

What is the IUPAC name of benzenecarboximidamide;propanoic acid?
The IUPAC name of benzenecarboximidamide;propanoic acid (CID 159833627) is benzenecarboximidamide;propanoic acid.
What is the SMILES notation for benzenecarboximidamide;propanoic acid?
The canonical SMILES for benzenecarboximidamide;propanoic acid is CCC(=O)O.[H]/N=C(\N)c1ccccc1.
What is the InChIKey of benzenecarboximidamide;propanoic acid?
The InChIKey is NNTQAYFHBMPEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.C3H6O2/c8-7(9)6-4-2-1-3-5-6;1-2-3(4)5/h1-5H,(H3,8,9);2H2,1H3,(H,4,5).
What are the key properties of benzenecarboximidamide;propanoic acid?
benzenecarboximidamide;propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarboximidamide;propanoic acid is sourced from PubChem (CID 159833627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).