2-azaniumyl-3-(1H-indol-2-yl)propanoate

C11H12N2O2 — CID 23278059

IUPAC2-azaniumyl-3-(1H-indol-2-yl)propanoate
SMILES[NH3+]C(Cc1cc2ccccc2[nH]1)C(=O)[O-]
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)6-8-5-7-3-1-2-4-10(7)13-8/h1-5,9,13H,6,12H2,(H,14,15)
InChIKeyKYNMONSTYCGIDJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.93
Rot. Bonds3

About 2-azaniumyl-3-(1H-indol-2-yl)propanoate

2-azaniumyl-3-(1H-indol-2-yl)propanoate (PubChem CID 23278059) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-azaniumyl-3-(1H-indol-2-yl)propanoate.

Molecular Properties

Compound Name2-azaniumyl-3-(1H-indol-2-yl)propanoate
PubChem CID23278059
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-azaniumyl-3-(1H-indol-2-yl)propanoate
SMILES[NH3+]C(Cc1cc2ccccc2[nH]1)C(=O)[O-]
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)6-8-5-7-3-1-2-4-10(7)13-8/h1-5,9,13H,6,12H2,(H,14,15)
InChIKeyKYNMONSTYCGIDJ-UHFFFAOYSA-N
XLogP-0.93
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-2-yl)-2-methylpropanoic acid
CID 22476899
disodium bis(4-(1H-indol-2-yl)butanoate)
CID 141404952
dimethyl 2-(1H-indol-2-ylmethyl)propanedioate
CID 132519173
(2S)-2-azaniumyl-3-phenylpropanoate
CID 6925665
2-(1H-indol-2-yl)-1-phenylethanol
CID 102199311
4-(1H-indol-2-yl)butan-2-one
CID 10954278
2-hydroxy-2-(1H-indol-2-yl)acetate
CID 19833059
1-(1H-indol-2-yl)-2-(iodoamino)-4-methylpentan-3-one
CID 176556183
(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid
CID 14678463
8-(1H-indol-2-yl)octanoic acid
CID 54343320
1-(1H-indol-2-yl)butan-2-amine
CID 54026892
2-(2,3,3-trimethylbutyl)-1H-indole
CID 23522829

Frequently Asked Questions

What is the IUPAC name of 2-azaniumyl-3-(1H-indol-2-yl)propanoate?
The IUPAC name of 2-azaniumyl-3-(1H-indol-2-yl)propanoate (CID 23278059) is 2-azaniumyl-3-(1H-indol-2-yl)propanoate.
What is the SMILES notation for 2-azaniumyl-3-(1H-indol-2-yl)propanoate?
The canonical SMILES for 2-azaniumyl-3-(1H-indol-2-yl)propanoate is [NH3+]C(Cc1cc2ccccc2[nH]1)C(=O)[O-].
What is the InChIKey of 2-azaniumyl-3-(1H-indol-2-yl)propanoate?
The InChIKey is KYNMONSTYCGIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-9(11(14)15)6-8-5-7-3-1-2-4-10(7)13-8/h1-5,9,13H,6,12H2,(H,14,15).
What are the key properties of 2-azaniumyl-3-(1H-indol-2-yl)propanoate?
2-azaniumyl-3-(1H-indol-2-yl)propanoate has a molecular weight of 204.23 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumyl-3-(1H-indol-2-yl)propanoate is sourced from PubChem (CID 23278059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).