1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid

C13H13NO2 — CID 45480522

IUPAC1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid
SMILESC[C@H](c1ccccc1)n1cccc1C(=O)O
InChIInChI=1S/C13H13NO2/c1-10(11-6-3-2-4-7-11)14-9-5-8-12(14)13(15)16/h2-10H,1H3,(H,15,16)/t10-/m1/s1
InChIKeyBFLKSSGFEWKBMW-SNVBAGLBSA-N
MW215.25 g/mol
LogP2.80
Rot. Bonds3

About 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid

1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid (PubChem CID 45480522) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid
PubChem CID45480522
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid
SMILESC[C@H](c1ccccc1)n1cccc1C(=O)O
InChIInChI=1S/C13H13NO2/c1-10(11-6-3-2-4-7-11)14-9-5-8-12(14)13(15)16/h2-10H,1H3,(H,15,16)/t10-/m1/s1
InChIKeyBFLKSSGFEWKBMW-SNVBAGLBSA-N
XLogP2.80
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-carboxyethyl)pyrrole-2-carboxylic acid
CID 69469083
ethyl 1-(1-phenylethyl)pyrrole-2-carboxylate
CID 75166606
(2-methoxycarbonylphenyl) 1-(1-phenylethyl)pyrrole-2-carboxylate
CID 123902718
(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate
CID 71657818
1-[(1S)-1-phenylethyl]pyrrole-2-carbaldehyde
CID 40800229
4-[1-[1-(4-fluorophenyl)ethyl]pyrrol-2-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 71120429
2-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid
CID 139436729
1-(1-carboxybutyl)pyrrole-2-carboxylic acid
CID 69470753
3-fluoro-1-(1-phenylethyl)pyrazole-5-carboxylic acid
CID 155893876
1-propan-2-ylsulfonylpyrrole-2-carboxylic acid
CID 83640701
1-methylpyrrole-2-carboxylic acid;hydrochloride
CID 69426436
2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-2-yl)ethanone
CID 45081000

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid (CID 45480522) is 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid is C[C@H](c1ccccc1)n1cccc1C(=O)O.
What is the InChIKey of 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid?
The InChIKey is BFLKSSGFEWKBMW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13NO2/c1-10(11-6-3-2-4-7-11)14-9-5-8-12(14)13(15)16/h2-10H,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid?
1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 45480522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).