ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate

C13H16N2O2 — CID 688583

IUPACethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
SMILESCCOC(=O)[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,2,7,14H2,1H3/t11-/m1/s1
InChIKeyDABYEOZXRSTEGL-LLVKDONJSA-N
MW232.28 g/mol
LogP1.60
Rot. Bonds4

About ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate

ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate (PubChem CID 688583) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
PubChem CID688583
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Nameethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
SMILESCCOC(=O)[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,2,7,14H2,1H3/t11-/m1/s1
InChIKeyDABYEOZXRSTEGL-LLVKDONJSA-N
XLogP1.60
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
hexyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 11601701
dodecyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 54155349
octyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 91979300
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
diethylboranyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 99773095
sulfanyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 175583817
3-methylbutyl 2-amino-3-(1H-indol-3-yl)propanoate
CID 22597671
[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl] 2-methylpentanoate
CID 155622601
(3,5-dimethylphenyl)methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 10041814
trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate
CID 85288956
3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 104911563

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate?
The IUPAC name of ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate (CID 688583) is ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate is CCOC(=O)[C@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate?
The InChIKey is DABYEOZXRSTEGL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,2,7,14H2,1H3/t11-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate?
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate has a molecular weight of 232.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 688583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).