4-(N,N-dimethylcarbamimidoyl)benzoic acid

C10H12N2O2 — CID 4913141

IUPAC4-(N,N-dimethylcarbamimidoyl)benzoic acid
SMILES[H]/N=C(/c1ccc(C(=O)O)cc1)N(C)C
InChIInChI=1S/C10H12N2O2/c1-12(2)9(11)7-3-5-8(6-4-7)10(13)14/h3-6,11H,1-2H3,(H,13,14)/b11-9-
InChIKeySGNVDUFAYWYCAY-LUAWRHEFSA-N
MW192.22 g/mol
LogP1.27
Rot. Bonds2

About 4-(N,N-dimethylcarbamimidoyl)benzoic acid

4-(N,N-dimethylcarbamimidoyl)benzoic acid (PubChem CID 4913141) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-(N,N-dimethylcarbamimidoyl)benzoic acid.

Molecular Properties

Compound Name4-(N,N-dimethylcarbamimidoyl)benzoic acid
PubChem CID4913141
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name4-(N,N-dimethylcarbamimidoyl)benzoic acid
SMILES[H]/N=C(/c1ccc(C(=O)O)cc1)N(C)C
InChIInChI=1S/C10H12N2O2/c1-12(2)9(11)7-3-5-8(6-4-7)10(13)14/h3-6,11H,1-2H3,(H,13,14)/b11-9-
InChIKeySGNVDUFAYWYCAY-LUAWRHEFSA-N
XLogP1.27
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
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

4-(N,N-dimethylcarbamimidoyl)benzamide
CID 69104062
2-[4-(N,N-dimethylcarbamimidoyl)phenyl]acetic acid
CID 21443917
4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid
CID 22421328
4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide
CID 160588408
terephthalic acid
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CID 69397190
CID 69397190

Frequently Asked Questions

What is the IUPAC name of 4-(N,N-dimethylcarbamimidoyl)benzoic acid?
The IUPAC name of 4-(N,N-dimethylcarbamimidoyl)benzoic acid (CID 4913141) is 4-(N,N-dimethylcarbamimidoyl)benzoic acid.
What is the SMILES notation for 4-(N,N-dimethylcarbamimidoyl)benzoic acid?
The canonical SMILES for 4-(N,N-dimethylcarbamimidoyl)benzoic acid is [H]/N=C(/c1ccc(C(=O)O)cc1)N(C)C.
What is the InChIKey of 4-(N,N-dimethylcarbamimidoyl)benzoic acid?
The InChIKey is SGNVDUFAYWYCAY-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-12(2)9(11)7-3-5-8(6-4-7)10(13)14/h3-6,11H,1-2H3,(H,13,14)/b11-9-.
What are the key properties of 4-(N,N-dimethylcarbamimidoyl)benzoic acid?
4-(N,N-dimethylcarbamimidoyl)benzoic acid has a molecular weight of 192.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N,N-dimethylcarbamimidoyl)benzoic acid is sourced from PubChem (CID 4913141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).