tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid);1,1-dicyclopentylcyclopentane

C59H74N8O8 — CID 20584303

IUPACtetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid);1,1-dicyclopentylcyclopentane
SMILESC1CCC(C2(C3CCCC3)CCCC2)C1.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C15H26.4C11H12N2O2/c1-2-8-13(7-1)15(11-5-6-12-15)14-9-3-4-10-14;4*12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h13-14H,1-12H2;4*1-4,6,9,13H,5,12H2,(H,14,15)/t;4*9-/m.0000/s1
InChIKeyKGVLUGWVRGXPMV-ORVCKWMYSA-N
MW1023.29 g/mol
LogP9.42
Rot. Bonds14

About tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid);1,1-dicyclopentylcyclopentane

tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid);1,1-dicyclopentylcyclopentane (PubChem CID 20584303) has the molecular formula C59H74N8O8 and a molecular weight of 1023.29 g/mol. Its IUPAC name is tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid);1,1-dicyclopentylcyclopentane.

Molecular Properties

Compound Nametetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid);1,1-dicyclopentylcyclopentane
PubChem CID20584303
Molecular FormulaC59H74N8O8
Molecular Weight1023.29 g/mol
Exact Mass1022.56
IUPAC Nametetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid);1,1-dicyclopentylcyclopentane
SMILESC1CCC(C2(C3CCCC3)CCCC2)C1.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C15H26.4C11H12N2O2/c1-2-8-13(7-1)15(11-5-6-12-15)14-9-3-4-10-14;4*12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h13-14H,1-12H2;4*1-4,6,9,13H,5,12H2,(H,14,15)/t;4*9-/m.0000/s1
InChIKeyKGVLUGWVRGXPMV-ORVCKWMYSA-N
XLogP9.42
TPSA316.44 Ų
H-Bond Donors12
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001023.29
LogP ≤ 59.42
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid);1,1-dicyclopentylcyclopentane?
The IUPAC name of tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid);1,1-dicyclopentylcyclopentane (CID 20584303) is tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid);1,1-dicyclopentylcyclopentane.
What is the SMILES notation for tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid);1,1-dicyclopentylcyclopentane?
The canonical SMILES for tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid);1,1-dicyclopentylcyclopentane is C1CCC(C2(C3CCCC3)CCCC2)C1.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid);1,1-dicyclopentylcyclopentane?
The InChIKey is KGVLUGWVRGXPMV-ORVCKWMYSA-N. The full InChI is InChI=1S/C15H26.4C11H12N2O2/c1-2-8-13(7-1)15(11-5-6-12-15)14-9-3-4-10-14;4*12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h13-14H,1-12H2;4*1-4,6,9,13H,5,12H2,(H,14,15)/t;4*9-/m.0000/s1.
What are the key properties of tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid);1,1-dicyclopentylcyclopentane?
tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid);1,1-dicyclopentylcyclopentane has a molecular weight of 1023.29 g/mol, XLogP of 9.42, 14 rotatable bonds, 12 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid);1,1-dicyclopentylcyclopentane is sourced from PubChem (CID 20584303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).