4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid

C14H19NO2 — CID 140531930

IUPAC4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(C)N1CC(c2ccccc2)CC1C(=O)O
InChIInChI=1S/C14H19NO2/c1-10(2)15-9-12(8-13(15)14(16)17)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,17)
InChIKeyYWFSWTLZXQLCBP-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.34
Rot. Bonds3

About 4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid

4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 140531930) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid
PubChem CID140531930
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(C)N1CC(c2ccccc2)CC1C(=O)O
InChIInChI=1S/C14H19NO2/c1-10(2)15-9-12(8-13(15)14(16)17)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,17)
InChIKeyYWFSWTLZXQLCBP-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2-methyl-3-sulfanylpropanoyl)-4-phenylpyrrolidine-2-carboxylic acid
CID 88746785
4-[[(2S,4S)-4-phenyl-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one
CID 170366454
(2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride
CID 178190208
(2S,4R)-4-methoxy-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 53487433
(3R)-2-propan-2-yl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 51440812
3-phenyl-1-propan-2-ylazetidine
CID 23628
1-[(2S)-4-phenoxy-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 71207257
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
(4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid
CID 20828609
(2S)-1-[(2S)-2-[[(3S)-4-ethoxy-4-oxo-3-phenylbutyl]amino]propanoyl]-4-phenylpyrrolidine-2-carboxylic acid
CID 70555482
cis-(1R,2S)-4-phenylcyclohexane-1,2-dicarboxylic acid
CID 58895627
(2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid
CID 141124227

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid (CID 140531930) is 4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid is CC(C)N1CC(c2ccccc2)CC1C(=O)O.
What is the InChIKey of 4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is YWFSWTLZXQLCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)15-9-12(8-13(15)14(16)17)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid?
4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 140531930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).