4-(2-carbamimidoylphenyl)butanoic acid

C11H14N2O2 — CID 140979428

IUPAC4-(2-carbamimidoylphenyl)butanoic acid
SMILES[H]/N=C(\N)c1ccccc1CCCC(=O)O
InChIInChI=1S/C11H14N2O2/c12-11(13)9-6-2-1-4-8(9)5-3-7-10(14)15/h1-2,4,6H,3,5,7H2,(H3,12,13)(H,14,15)
InChIKeyFMMXXVYWWVXMQY-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.38
Rot. Bonds5

About 4-(2-carbamimidoylphenyl)butanoic acid

4-(2-carbamimidoylphenyl)butanoic acid (PubChem CID 140979428) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-(2-carbamimidoylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(2-carbamimidoylphenyl)butanoic acid
PubChem CID140979428
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-(2-carbamimidoylphenyl)butanoic acid
SMILES[H]/N=C(\N)c1ccccc1CCCC(=O)O
InChIInChI=1S/C11H14N2O2/c12-11(13)9-6-2-1-4-8(9)5-3-7-10(14)15/h1-2,4,6H,3,5,7H2,(H3,12,13)(H,14,15)
InChIKeyFMMXXVYWWVXMQY-UHFFFAOYSA-N
XLogP1.38
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.38
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'}

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Related Compounds

5-[2-(3-carbamimidoylphenyl)phenyl]pentanoic acid
CID 54151029
2-(17-carboxyheptadecyl)benzoic acid
CID 19770577
4-(2-carbamimidoylanilino)-4-oxobutanoic acid
CID 54028141
decanedioic acid;phthalic acid
CID 67564124
2-[2-[(1S,3R)-3-[2-(2-carbamimidoylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide
CID 175997207
(2-carbamimidoylphenyl) 3-(2-aminophenyl)propanoate
CID 174602970
4-[2-(12-bromododecyl)phenyl]butanoic acid
CID 23352565
2-(3-amino-3-oxopropyl)benzoic acid
CID 19261660
3-(2-carbonochloridoylphenyl)propanoic acid
CID 45081979
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
4-(2-propan-2-ylphenyl)butanoic acid
CID 58591852
2-butylbenzamide
CID 15468173

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamimidoylphenyl)butanoic acid?
The IUPAC name of 4-(2-carbamimidoylphenyl)butanoic acid (CID 140979428) is 4-(2-carbamimidoylphenyl)butanoic acid.
What is the SMILES notation for 4-(2-carbamimidoylphenyl)butanoic acid?
The canonical SMILES for 4-(2-carbamimidoylphenyl)butanoic acid is [H]/N=C(\N)c1ccccc1CCCC(=O)O.
What is the InChIKey of 4-(2-carbamimidoylphenyl)butanoic acid?
The InChIKey is FMMXXVYWWVXMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-11(13)9-6-2-1-4-8(9)5-3-7-10(14)15/h1-2,4,6H,3,5,7H2,(H3,12,13)(H,14,15).
What are the key properties of 4-(2-carbamimidoylphenyl)butanoic acid?
4-(2-carbamimidoylphenyl)butanoic acid has a molecular weight of 206.25 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamimidoylphenyl)butanoic acid is sourced from PubChem (CID 140979428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).