(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid

C15H20N2O3 — CID 75384682

IUPAC(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCC[C@H]1C(=O)O)NCCc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(11-17-10-4-7-13(17)15(19)20)16-9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,18)(H,19,20)/t13-/m0/s1
InChIKeyOCCBOAYYWJJSSI-ZDUSSCGKSA-N
MW276.34 g/mol
LogP0.89
Rot. Bonds6

About (2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 75384682) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID75384682
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCC[C@H]1C(=O)O)NCCc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(11-17-10-4-7-13(17)15(19)20)16-9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,18)(H,19,20)/t13-/m0/s1
InChIKeyOCCBOAYYWJJSSI-ZDUSSCGKSA-N
XLogP0.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75482539
1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909301
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441794
1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid
CID 119908491
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 86789165
(2S)-1-[2-oxo-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]ethyl]pyrrolidine-2-carboxylic acid
CID 119910785
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908743
(2S)-1-[2-(2-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910659
(2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910385
1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908548

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid (CID 75384682) is (2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid is O=C(CN1CCC[C@H]1C(=O)O)NCCc1ccccc1.
What is the InChIKey of (2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OCCBOAYYWJJSSI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(11-17-10-4-7-13(17)15(19)20)16-9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,18)(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 75384682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).