5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid

C10H10N2O3 — CID 83819988

IUPAC5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid
SMILESNCc1ccc2[nH]c(C(=O)O)cc2c1O
InChIInChI=1S/C10H10N2O3/c11-4-5-1-2-7-6(9(5)13)3-8(12-7)10(14)15/h1-3,12-13H,4,11H2,(H,14,15)
InChIKeyNHCVWESATSDSBG-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.03
Rot. Bonds2

About 5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid

5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid (PubChem CID 83819988) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid
PubChem CID83819988
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid
SMILESNCc1ccc2[nH]c(C(=O)O)cc2c1O
InChIInChI=1S/C10H10N2O3/c11-4-5-1-2-7-6(9(5)13)3-8(12-7)10(14)15/h1-3,12-13H,4,11H2,(H,14,15)
InChIKeyNHCVWESATSDSBG-UHFFFAOYSA-N
XLogP1.03
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-2-methyl-1H-indol-4-ol
CID 82599148
5-amino-4-bromo-1H-indole-2-carboxylic acid
CID 82380856
5-amino-4-fluoro-1H-indole-2-carboxylic acid
CID 82401506
3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid
CID 54427614
5-(aminomethyl)-4-hydroxy-1-benzofuran-2-carboxylic acid
CID 83820165
4-ethyl-5-methyl-1H-indole-2-carboxylic acid
CID 21396319
7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid
CID 115007759
4-methoxy-5-methyl-1H-indole-2-carboxylic acid
CID 4262975
5-(2-aminoacetyl)-1H-indole-2-carboxylic acid
CID 170861029
ethyl 4-formyl-5-hydroxy-1H-indole-2-carboxylate;4-formyl-5-hydroxy-1H-indole-2-carboxylic acid;methanol
CID 161379320
3-(4-hydroxy-2-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid
CID 117370245
4-phenoxy-1H-indole-2-carboxylic acid
CID 59600239

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid (CID 83819988) is 5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid is NCc1ccc2[nH]c(C(=O)O)cc2c1O.
What is the InChIKey of 5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid?
The InChIKey is NHCVWESATSDSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c11-4-5-1-2-7-6(9(5)13)3-8(12-7)10(14)15/h1-3,12-13H,4,11H2,(H,14,15).
What are the key properties of 5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid?
5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 83819988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).