1H-indol-2-ylmethyl 2-aminoacetate

C11H12N2O2 — CID 67228624

IUPAC1H-indol-2-ylmethyl 2-aminoacetate
SMILESNCC(=O)OCc1cc2ccccc2[nH]1
InChIInChI=1S/C11H12N2O2/c12-6-11(14)15-7-9-5-8-3-1-2-4-10(8)13-9/h1-5,13H,6-7,12H2
InChIKeyGYCGTZRJADGQLE-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.17
Rot. Bonds3

About 1H-indol-2-ylmethyl 2-aminoacetate

1H-indol-2-ylmethyl 2-aminoacetate (PubChem CID 67228624) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1H-indol-2-ylmethyl 2-aminoacetate.

Molecular Properties

Compound Name1H-indol-2-ylmethyl 2-aminoacetate
PubChem CID67228624
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1H-indol-2-ylmethyl 2-aminoacetate
SMILESNCC(=O)OCc1cc2ccccc2[nH]1
InChIInChI=1S/C11H12N2O2/c12-6-11(14)15-7-9-5-8-3-1-2-4-10(8)13-9/h1-5,13H,6-7,12H2
InChIKeyGYCGTZRJADGQLE-UHFFFAOYSA-N
XLogP1.17
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 2-(1H-indol-2-ylmethyl)propanedioate
CID 132519173
2-(1H-indol-2-yl)ethanamine;hydroiodide
CID 175201769
(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid
CID 14678463
methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate
CID 68733352
4-(1H-indol-2-yl)butan-2-one
CID 10954278
1H-indol-2-ylmethylcarbamic acid
CID 68691362
2-(2-fluoroethyl)-1H-indole
CID 142633825
methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate
CID 70109234
1H-indol-2-ylmethanesulfonamide
CID 54351083
2-azaniumyl-3-(1H-indol-2-yl)propanoate
CID 23278059
ethanol;2-(1H-indol-2-yl)acetic acid
CID 157082351
2-amino-N-(1H-indol-2-yl)acetamide
CID 91622739

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-ylmethyl 2-aminoacetate?
The IUPAC name of 1H-indol-2-ylmethyl 2-aminoacetate (CID 67228624) is 1H-indol-2-ylmethyl 2-aminoacetate.
What is the SMILES notation for 1H-indol-2-ylmethyl 2-aminoacetate?
The canonical SMILES for 1H-indol-2-ylmethyl 2-aminoacetate is NCC(=O)OCc1cc2ccccc2[nH]1.
What is the InChIKey of 1H-indol-2-ylmethyl 2-aminoacetate?
The InChIKey is GYCGTZRJADGQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-6-11(14)15-7-9-5-8-3-1-2-4-10(8)13-9/h1-5,13H,6-7,12H2.
What are the key properties of 1H-indol-2-ylmethyl 2-aminoacetate?
1H-indol-2-ylmethyl 2-aminoacetate has a molecular weight of 204.23 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-ylmethyl 2-aminoacetate is sourced from PubChem (CID 67228624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).