propan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate

C18H24N2O2 — CID 171080037

IUPACpropan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)[C@@H]1CCCN1CCc1c[nH]c2ccccc12
InChIInChI=1S/C18H24N2O2/c1-13(2)22-18(21)17-8-5-10-20(17)11-9-14-12-19-16-7-4-3-6-15(14)16/h3-4,6-7,12-13,17,19H,5,8-11H2,1-2H3/t17-/m0/s1
InChIKeyBYDGBZXZTZMHKE-KRWDZBQOSA-N
MW300.40 g/mol
LogP3.13
Rot. Bonds5

About propan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate

propan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate (PubChem CID 171080037) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is propan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate
PubChem CID171080037
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Namepropan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)[C@@H]1CCCN1CCc1c[nH]c2ccccc12
InChIInChI=1S/C18H24N2O2/c1-13(2)22-18(21)17-8-5-10-20(17)11-9-14-12-19-16-7-4-3-6-15(14)16/h3-4,6-7,12-13,17,19H,5,8-11H2,1-2H3/t17-/m0/s1
InChIKeyBYDGBZXZTZMHKE-KRWDZBQOSA-N
XLogP3.13
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen
CID 171080006
tert-butyl (2S)-1-(1H-indol-3-ylmethyl)piperidine-2-carboxylate
CID 110189012
1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile
CID 171079929
methyl (2R)-1-[3-(1H-indol-3-yl)-2-oxopropanoyl]pyrrolidine-2-carboxylate
CID 59968438
(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 95196011
(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 92650290
tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 36769023
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781
(2S)-1-[(2S)-2-[[1-ethoxy-4-(1H-indol-3-yl)-1-oxobutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 12718471
1-O-benzyl 2-O-[2-(1H-indol-3-yl)ethyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 101244056
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2R)-1-methylsulfonylpyrrolidine-2-carboxylate
CID 26002732

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate (CID 171080037) is propan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate is CC(C)OC(=O)[C@@H]1CCCN1CCc1c[nH]c2ccccc12.
What is the InChIKey of propan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate?
The InChIKey is BYDGBZXZTZMHKE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(2)22-18(21)17-8-5-10-20(17)11-9-14-12-19-16-7-4-3-6-15(14)16/h3-4,6-7,12-13,17,19H,5,8-11H2,1-2H3/t17-/m0/s1.
What are the key properties of propan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate?
propan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 171080037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).