2-[4-(N,N-dimethylcarbamimidoyl)phenyl]acetic acid

C11H14N2O2 — CID 21443917

IUPAC2-[4-(N,N-dimethylcarbamimidoyl)phenyl]acetic acid
SMILES[H]/N=C(/c1ccc(CC(=O)O)cc1)N(C)C
InChIInChI=1S/C11H14N2O2/c1-13(2)11(12)9-5-3-8(4-6-9)7-10(14)15/h3-6,12H,7H2,1-2H3,(H,14,15)/b12-11-
InChIKeyIMHWGGPDVZELLH-QXMHVHEDSA-N
MW206.24 g/mol
LogP1.20
Rot. Bonds3

About 2-[4-(N,N-dimethylcarbamimidoyl)phenyl]acetic acid

2-[4-(N,N-dimethylcarbamimidoyl)phenyl]acetic acid (PubChem CID 21443917) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[4-(N,N-dimethylcarbamimidoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(N,N-dimethylcarbamimidoyl)phenyl]acetic acid
PubChem CID21443917
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-[4-(N,N-dimethylcarbamimidoyl)phenyl]acetic acid
SMILES[H]/N=C(/c1ccc(CC(=O)O)cc1)N(C)C
InChIInChI=1S/C11H14N2O2/c1-13(2)11(12)9-5-3-8(4-6-9)7-10(14)15/h3-6,12H,7H2,1-2H3,(H,14,15)/b12-11-
InChIKeyIMHWGGPDVZELLH-QXMHVHEDSA-N
XLogP1.20
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.20
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)benzoic acid
CID 4913141
4-(N,N-dimethylcarbamimidoyl)benzamide
CID 69104062
ethyl 4-(N,N-dimethylcarbamimidoyl)benzoate
CID 22631319
2-[4-(C-ethoxycarbonimidoyl)phenyl]acetic acid
CID 165357218
2-(4-methoxycarbonylphenyl)acetic acid
CID 10797879
2-[4-[[2-cyanoethyl(methyl)amino]methyl]phenyl]acetic acid
CID 105345625
2-[4-[acetyl(methyl)amino]phenyl]acetic acid
CID 20670865
2-[4-[4-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226143
2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345673
2-[4-(1-methoxyethenyl)phenyl]acetic acid
CID 91083369
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid
CID 22421328

Frequently Asked Questions

What is the IUPAC name of 2-[4-(N,N-dimethylcarbamimidoyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(N,N-dimethylcarbamimidoyl)phenyl]acetic acid (CID 21443917) is 2-[4-(N,N-dimethylcarbamimidoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(N,N-dimethylcarbamimidoyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(N,N-dimethylcarbamimidoyl)phenyl]acetic acid is [H]/N=C(/c1ccc(CC(=O)O)cc1)N(C)C.
What is the InChIKey of 2-[4-(N,N-dimethylcarbamimidoyl)phenyl]acetic acid?
The InChIKey is IMHWGGPDVZELLH-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13(2)11(12)9-5-3-8(4-6-9)7-10(14)15/h3-6,12H,7H2,1-2H3,(H,14,15)/b12-11-.
What are the key properties of 2-[4-(N,N-dimethylcarbamimidoyl)phenyl]acetic acid?
2-[4-(N,N-dimethylcarbamimidoyl)phenyl]acetic acid has a molecular weight of 206.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N,N-dimethylcarbamimidoyl)phenyl]acetic acid is sourced from PubChem (CID 21443917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).