(2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid

C14H18N2O3 — CID 125149822

IUPAC(2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)c1ccncc1
InChIInChI=1S/C14H18N2O3/c1-10(11-4-6-15-7-5-11)9-13(17)16-8-2-3-12(16)14(18)19/h4-7,10,12H,2-3,8-9H2,1H3,(H,18,19)/t10-,12+/m0/s1
InChIKeyVLRGBMRLZAGNLX-CMPLNLGQSA-N
MW262.31 g/mol
LogP1.65
Rot. Bonds4

About (2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 125149822) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid
PubChem CID125149822
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)c1ccncc1
InChIInChI=1S/C14H18N2O3/c1-10(11-4-6-15-7-5-11)9-13(17)16-8-2-3-12(16)14(18)19/h4-7,10,12H,2-3,8-9H2,1H3,(H,18,19)/t10-,12+/m0/s1
InChIKeyVLRGBMRLZAGNLX-CMPLNLGQSA-N
XLogP1.65
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 125146161
(2S)-1-[3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 119365695
(3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124592771
(2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124688312
(2R)-1-[(3R)-3-(3-methoxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124688281
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 139391002
(2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid
CID 119372031
(3S)-1-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124587850
(2S,3S)-2-methyl-1-[3-(4-propan-2-ylphenyl)butanoyl]piperidine-3-carboxylic acid
CID 122115975
(2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid
CID 99639914

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid (CID 125149822) is (2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid is C[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)c1ccncc1.
What is the InChIKey of (2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VLRGBMRLZAGNLX-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(11-4-6-15-7-5-11)9-13(17)16-8-2-3-12(16)14(18)19/h4-7,10,12H,2-3,8-9H2,1H3,(H,18,19)/t10-,12+/m0/s1.
What are the key properties of (2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 125149822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).