(2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid

C19H21NO3 — CID 59901710

IUPAC(2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](Cc1ccc2ccccc2c1)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C19H21NO3/c1-13(18(21)20-10-4-7-17(20)19(22)23)11-14-8-9-15-5-2-3-6-16(15)12-14/h2-3,5-6,8-9,12-13,17H,4,7,10-11H2,1H3,(H,22,23)/t13-,17-/m1/s1
InChIKeyCHLMRTAIZSUMQS-CXAGYDPISA-N
MW311.38 g/mol
LogP3.09
Rot. Bonds4

About (2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 59901710) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid
PubChem CID59901710
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](Cc1ccc2ccccc2c1)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C19H21NO3/c1-13(18(21)20-10-4-7-17(20)19(22)23)11-14-8-9-15-5-2-3-6-16(15)12-14/h2-3,5-6,8-9,12-13,17H,4,7,10-11H2,1H3,(H,22,23)/t13-,17-/m1/s1
InChIKeyCHLMRTAIZSUMQS-CXAGYDPISA-N
XLogP3.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid
CID 11742416
(2S)-1-[(2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 10433686
1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 119355623
(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 10508341
1-[2-methyl-3-[(E)-3-naphthalen-2-yloxy-3-oxoprop-1-enyl]sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 102592394
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10039116
1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid
CID 119176277
(2S)-1-(5-amino-2-methyl-4-oxo-6-phenylhexanoyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 70520069
(2R)-1-[(2S)-2-(3-hydroxybutanoylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 71407969
1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 16781860
3-(4-methoxyphenyl)-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 156646032

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid (CID 59901710) is (2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid is C[C@H](Cc1ccc2ccccc2c1)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CHLMRTAIZSUMQS-CXAGYDPISA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(18(21)20-10-4-7-17(20)19(22)23)11-14-8-9-15-5-2-3-6-16(15)12-14/h2-3,5-6,8-9,12-13,17H,4,7,10-11H2,1H3,(H,22,23)/t13-,17-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 59901710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).