2-[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyloxy)ethyl]pyrrolidin-3-yl]acetic acid

C23H25NO3 — CID 19696744

IUPAC2-[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyloxy)ethyl]pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(CCOC2=c3ccccc3=CC=C3CC=CC=C32)C1
InChIInChI=1S/C23H25NO3/c25-22(26)15-17-11-12-24(16-17)13-14-27-23-20-7-3-1-5-18(20)9-10-19-6-2-4-8-21(19)23/h1-5,7-10,17H,6,11-16H2,(H,25,26)
InChIKeyHQKPOUSIVUACFF-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.21
Rot. Bonds6

About 2-[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyloxy)ethyl]pyrrolidin-3-yl]acetic acid

2-[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyloxy)ethyl]pyrrolidin-3-yl]acetic acid (PubChem CID 19696744) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyloxy)ethyl]pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyloxy)ethyl]pyrrolidin-3-yl]acetic acid
PubChem CID19696744
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name2-[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyloxy)ethyl]pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(CCOC2=c3ccccc3=CC=C3CC=CC=C32)C1
InChIInChI=1S/C23H25NO3/c25-22(26)15-17-11-12-24(16-17)13-14-27-23-20-7-3-1-5-18(20)9-10-19-6-2-4-8-21(19)23/h1-5,7-10,17H,6,11-16H2,(H,25,26)
InChIKeyHQKPOUSIVUACFF-UHFFFAOYSA-N
XLogP2.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyloxy)ethyl]pyrrolidin-3-yl]acetic acid with MolForge

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Related Compounds

2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid
CID 62689445
2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride
CID 70478194
2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64617332
2-[1-[2-(2-methoxyphenoxy)ethyl]azepan-4-yl]acetic acid;hydrochloride
CID 120953603
2-[1-[2-[bis(4-chlorophenyl)methoxy]ethyl]pyrrolidin-3-yl]acetic acid
CID 10476538
2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64618532
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
2-[1-[2-[2-(trifluoromethyl)phenoxy]ethyl]azepan-4-yl]acetic acid;hydrochloride
CID 120953649
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one
CID 112571405
1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone
CID 115667557
2-[(3R)-1-[2-[bis(4-fluoro-2-methylphenyl)methylideneamino]oxyethyl]pyrrolidin-3-yl]acetic acid
CID 20639017
2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid
CID 62689073

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyloxy)ethyl]pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyloxy)ethyl]pyrrolidin-3-yl]acetic acid (CID 19696744) is 2-[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyloxy)ethyl]pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyloxy)ethyl]pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyloxy)ethyl]pyrrolidin-3-yl]acetic acid is O=C(O)CC1CCN(CCOC2=c3ccccc3=CC=C3CC=CC=C32)C1.
What is the InChIKey of 2-[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyloxy)ethyl]pyrrolidin-3-yl]acetic acid?
The InChIKey is HQKPOUSIVUACFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c25-22(26)15-17-11-12-24(16-17)13-14-27-23-20-7-3-1-5-18(20)9-10-19-6-2-4-8-21(19)23/h1-5,7-10,17H,6,11-16H2,(H,25,26).
What are the key properties of 2-[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyloxy)ethyl]pyrrolidin-3-yl]acetic acid?
2-[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyloxy)ethyl]pyrrolidin-3-yl]acetic acid has a molecular weight of 363.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyloxy)ethyl]pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 19696744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).