3-(2-carbamimidoylanilino)propanoic acid

C10H13N3O2 — CID 10703523

IUPAC3-(2-carbamimidoylanilino)propanoic acid
SMILES[H]/N=C(\N)c1ccccc1NCCC(=O)O
InChIInChI=1S/C10H13N3O2/c11-10(12)7-3-1-2-4-8(7)13-6-5-9(14)15/h1-4,13H,5-6H2,(H3,11,12)(H,14,15)
InChIKeyKYLGDWWIZZXXAX-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.86
Rot. Bonds5

About 3-(2-carbamimidoylanilino)propanoic acid

3-(2-carbamimidoylanilino)propanoic acid (PubChem CID 10703523) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(2-carbamimidoylanilino)propanoic acid.

Molecular Properties

Compound Name3-(2-carbamimidoylanilino)propanoic acid
PubChem CID10703523
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-(2-carbamimidoylanilino)propanoic acid
SMILES[H]/N=C(\N)c1ccccc1NCCC(=O)O
InChIInChI=1S/C10H13N3O2/c11-10(12)7-3-1-2-4-8(7)13-6-5-9(14)15/h1-4,13H,5-6H2,(H3,11,12)(H,14,15)
InChIKeyKYLGDWWIZZXXAX-UHFFFAOYSA-N
XLogP0.86
TPSA99.20 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.86
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'}

Analyze 3-(2-carbamimidoylanilino)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

(S)-3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylamino]-pent-4-enoic acid
CID 10359401
3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylamino]-pent-4-enoic acid
CID 10449423
3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylamino]-butyric acid
CID 15233759
3-[(2-Methylphenyl)carbamoylamino]propanoic acid
CID 28510811
3-[(2-Methylphenyl)amino]propanoic acid
CID 2435377
3-{[(2Z)-2,3,4,5-Tetrahydro-1H-1-benzazepin-2-ylidene]amino}propanoic acid
CID 135406169
3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylamino]-propionic acid
CID 15432278
N-(3,4-dihydro-2(1H)-quinolinylidene)-beta-alanine
CID 135412527
3-p-Tolylamino-propionic acid
CID 2384526
(3S)-3-[4-(4-carbamimidoylanilino)butanoylamino]pent-4-enoic acid
CID 11723405
3-[[Amino-(2-aminophenyl)methylidene]amino]propanoic acid;dihydrochloride
CID 45259439
3-[4-(4-Carbamimidoylanilino)butanoylamino]pent-4-enoic acid
CID 49824187

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamimidoylanilino)propanoic acid?
The IUPAC name of 3-(2-carbamimidoylanilino)propanoic acid (CID 10703523) is 3-(2-carbamimidoylanilino)propanoic acid.
What is the SMILES notation for 3-(2-carbamimidoylanilino)propanoic acid?
The canonical SMILES for 3-(2-carbamimidoylanilino)propanoic acid is [H]/N=C(\N)c1ccccc1NCCC(=O)O.
What is the InChIKey of 3-(2-carbamimidoylanilino)propanoic acid?
The InChIKey is KYLGDWWIZZXXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-10(12)7-3-1-2-4-8(7)13-6-5-9(14)15/h1-4,13H,5-6H2,(H3,11,12)(H,14,15).
What are the key properties of 3-(2-carbamimidoylanilino)propanoic acid?
3-(2-carbamimidoylanilino)propanoic acid has a molecular weight of 207.23 g/mol, XLogP of 0.86, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbamimidoylanilino)propanoic acid is sourced from PubChem (CID 10703523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).