ethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate

C18H24N2O2 — CID 170885671

IUPACethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate
SMILESCCOC(=O)C(N)Cc1cn(C2CCCC2)c2ccccc12
InChIInChI=1S/C18H24N2O2/c1-2-22-18(21)16(19)11-13-12-20(14-7-3-4-8-14)17-10-6-5-9-15(13)17/h5-6,9-10,12,14,16H,2-4,7-8,11,19H2,1H3
InChIKeyRJBAFKGZLBVBBT-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.19
Rot. Bonds5

About ethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate

ethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate (PubChem CID 170885671) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate
PubChem CID170885671
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Nameethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate
SMILESCCOC(=O)C(N)Cc1cn(C2CCCC2)c2ccccc12
InChIInChI=1S/C18H24N2O2/c1-2-22-18(21)16(19)11-13-12-20(14-7-3-4-8-14)17-10-6-5-9-15(13)17/h5-6,9-10,12,14,16H,2-4,7-8,11,19H2,1H3
InChIKeyRJBAFKGZLBVBBT-UHFFFAOYSA-N
XLogP3.19
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-(2-cyclohexyl-1H-indol-3-yl)propanoate
CID 44719141
ethyl 2-amino-3-(2-bromophenyl)propanoate
CID 3302448
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
2-(1-cyclopentylindol-3-yl)propan-1-ol
CID 115115568
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 86133997
3-(1-cyclopentylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170866965
propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate
CID 146400957
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
ethyl 2-amino-3-(2-chloro-1-methylindol-3-yl)propanoate
CID 170884911
2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate
CID 146400954
ethyl 2-amino-3-(10-methylanthracen-9-yl)propanoate
CID 170885097
2-(1-cyclopropylindol-3-yl)ethanamine
CID 105453045

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate (CID 170885671) is ethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate is CCOC(=O)C(N)Cc1cn(C2CCCC2)c2ccccc12.
What is the InChIKey of ethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate?
The InChIKey is RJBAFKGZLBVBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-22-18(21)16(19)11-13-12-20(14-7-3-4-8-14)17-10-6-5-9-15(13)17/h5-6,9-10,12,14,16H,2-4,7-8,11,19H2,1H3.
What are the key properties of ethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate?
ethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate has a molecular weight of 300.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate is sourced from PubChem (CID 170885671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).