2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid

C16H23NO2 — CID 61370725

IUPAC2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid
SMILESCC(C)c1ccc(CN2CCCC2CC(=O)O)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)14-7-5-13(6-8-14)11-17-9-3-4-15(17)10-16(18)19/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyXOMAXOZUXGSNSA-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.25
Rot. Bonds5

About 2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid

2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61370725) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid
PubChem CID61370725
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid
SMILESCC(C)c1ccc(CN2CCCC2CC(=O)O)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)14-7-5-13(6-8-14)11-17-9-3-4-15(17)10-16(18)19/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyXOMAXOZUXGSNSA-UHFFFAOYSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899816
2-[1-(4-propan-2-ylphenyl)pyrrolidin-2-yl]acetic acid
CID 117028588
2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 112747898
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581090
2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 55182780
2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]acetic acid
CID 61372500
2-methyl-N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 63528363
2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 83240966
2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid
CID 65067815
2-(2-bromoethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 80671776
2-[1-[(2,3,6-trichlorophenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 82183336

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid (CID 61370725) is 2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid is CC(C)c1ccc(CN2CCCC2CC(=O)O)cc1.
What is the InChIKey of 2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is XOMAXOZUXGSNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)14-7-5-13(6-8-14)11-17-9-3-4-15(17)10-16(18)19/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 261.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).