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

C19H26N2O2 — CID 44719141

IUPACethyl 2-amino-3-(2-cyclohexyl-1H-indol-3-yl)propanoate
SMILESCCOC(=O)C(N)Cc1c(C2CCCCC2)[nH]c2ccccc12
InChIInChI=1S/C19H26N2O2/c1-2-23-19(22)16(20)12-15-14-10-6-7-11-17(14)21-18(15)13-8-4-3-5-9-13/h6-7,10-11,13,16,21H,2-5,8-9,12,20H2,1H3
InChIKeyXEANLDVEHBEEMK-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.65
Rot. Bonds5

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

ethyl 2-amino-3-(2-cyclohexyl-1H-indol-3-yl)propanoate (PubChem CID 44719141) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-cyclohexyl-1H-indol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-cyclohexyl-1H-indol-3-yl)propanoate
PubChem CID44719141
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Nameethyl 2-amino-3-(2-cyclohexyl-1H-indol-3-yl)propanoate
SMILESCCOC(=O)C(N)Cc1c(C2CCCCC2)[nH]c2ccccc12
InChIInChI=1S/C19H26N2O2/c1-2-23-19(22)16(20)12-15-14-10-6-7-11-17(14)21-18(15)13-8-4-3-5-9-13/h6-7,10-11,13,16,21H,2-5,8-9,12,20H2,1H3
InChIKeyXEANLDVEHBEEMK-UHFFFAOYSA-N
XLogP3.65
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoate
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ethyl 2-amino-3-(10-methylanthracen-9-yl)propanoate
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2-cyclononyl-3-methyl-1H-indole
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ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate
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ethyl 2-amino-3-anthracen-9-ylpropanoate
CID 170884626
ethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate
CID 170885671
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
CID 114457307
2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide
CID 116850216
ethyl 3-[(cyclobutylamino)methyl]-1H-indole-2-carboxylate
CID 156746164

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-cyclohexyl-1H-indol-3-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2-cyclohexyl-1H-indol-3-yl)propanoate (CID 44719141) is ethyl 2-amino-3-(2-cyclohexyl-1H-indol-3-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2-cyclohexyl-1H-indol-3-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2-cyclohexyl-1H-indol-3-yl)propanoate is CCOC(=O)C(N)Cc1c(C2CCCCC2)[nH]c2ccccc12.
What is the InChIKey of ethyl 2-amino-3-(2-cyclohexyl-1H-indol-3-yl)propanoate?
The InChIKey is XEANLDVEHBEEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-23-19(22)16(20)12-15-14-10-6-7-11-17(14)21-18(15)13-8-4-3-5-9-13/h6-7,10-11,13,16,21H,2-5,8-9,12,20H2,1H3.
What are the key properties of ethyl 2-amino-3-(2-cyclohexyl-1H-indol-3-yl)propanoate?
ethyl 2-amino-3-(2-cyclohexyl-1H-indol-3-yl)propanoate has a molecular weight of 314.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2-cyclohexyl-1H-indol-3-yl)propanoate is sourced from PubChem (CID 44719141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).