2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid

C11H13N3O3 — CID 11218575

IUPAC2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
SMILESNNC(Cc1c[nH]c2ccc(O)cc12)C(=O)O
InChIInChI=1S/C11H13N3O3/c12-14-10(11(16)17)3-6-5-13-9-2-1-7(15)4-8(6)9/h1-2,4-5,10,13-15H,3,12H2,(H,16,17)
InChIKeyPVFGZYXAEZMIJA-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.33
Rot. Bonds4

About 2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid

2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid (PubChem CID 11218575) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
PubChem CID11218575
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
SMILESNNC(Cc1c[nH]c2ccc(O)cc12)C(=O)O
InChIInChI=1S/C11H13N3O3/c12-14-10(11(16)17)3-6-5-13-9-2-1-7(15)4-8(6)9/h1-2,4-5,10,13-15H,3,12H2,(H,16,17)
InChIKeyPVFGZYXAEZMIJA-UHFFFAOYSA-N
XLogP0.33
TPSA111.37 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)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

ethane;4-(5-hydroxy-1H-indol-3-yl)-3-(methylamino)butan-2-one
CID 145087627
ethane;4-(5-hydroxy-1H-indol-3-yl)-3-(methylamino)butan-2-one
CID 145087532
(2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 54530999
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate
CID 66819072
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-(methylamino)propanoate;hydrochloride
CID 69317062
2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane
CID 164563516
(2S)-2-[[(2S)-2-acetamido-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 10216569
methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 14288547
3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide
CID 166672970
2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide
CID 19862462
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride
CID 144798694
methyl (2S)-3-(5-hydroxy-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 11099560

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid (CID 11218575) is 2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is NNC(Cc1c[nH]c2ccc(O)cc12)C(=O)O.
What is the InChIKey of 2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?
The InChIKey is PVFGZYXAEZMIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-14-10(11(16)17)3-6-5-13-9-2-1-7(15)4-8(6)9/h1-2,4-5,10,13-15H,3,12H2,(H,16,17).
What are the key properties of 2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?
2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid has a molecular weight of 235.24 g/mol, XLogP of 0.33, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 11218575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).