(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid

C15H17NO3 — CID 106892375

IUPAC(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H17NO3/c17-14(16-7-3-6-13(16)15(18)19)12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12-13H,3,6-9H2,(H,18,19)/t13-/m1/s1
InChIKeyHFOSBYNKVJBXFS-CYBMUJFWSA-N
MW259.30 g/mol
LogP1.48
Rot. Bonds2

About (2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 106892375) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID106892375
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H17NO3/c17-14(16-7-3-6-13(16)15(18)19)12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12-13H,3,6-9H2,(H,18,19)/t13-/m1/s1
InChIKeyHFOSBYNKVJBXFS-CYBMUJFWSA-N
XLogP1.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid
CID 107126335
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid
CID 61158469
1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 106892485
2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 54377731
1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid
CID 164641131
(2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 66262994
[(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone
CID 22852923
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile
CID 106892896
(2S)-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 15021263
(2R)-1-[3-(2,3-dihydro-1H-inden-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 54494835
(2S)-1-[2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 15021264

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 106892375) is (2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)C1Cc2ccccc2C1.
What is the InChIKey of (2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HFOSBYNKVJBXFS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14(16-7-3-6-13(16)15(18)19)12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12-13H,3,6-9H2,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106892375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).