(2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid

C17H22N2O3 — CID 119914227

IUPAC(2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCC[C@@H]1C(=O)O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C17H22N2O3/c20-15(12-19-11-4-8-14(19)16(21)22)18-17(9-5-10-17)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,18,20)(H,21,22)/t14-/m1/s1
InChIKeyKWRRPAQINRRJQD-CQSZACIVSA-N
MW302.37 g/mol
LogP1.73
Rot. Bonds5

About (2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 119914227) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid
PubChem CID119914227
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCC[C@@H]1C(=O)O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C17H22N2O3/c20-15(12-19-11-4-8-14(19)16(21)22)18-17(9-5-10-17)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,18,20)(H,21,22)/t14-/m1/s1
InChIKeyKWRRPAQINRRJQD-CQSZACIVSA-N
XLogP1.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid
CID 119908491
1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908743
(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75482539
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 75384682
2-cyclohexyl-N-(1-phenylcyclobutyl)acetamide
CID 55461959
(2S)-1-[2-(2-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910659
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441794
1-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909069
(2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 125119984
1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908992
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(4-phenyloxan-4-yl)acetamide
CID 125446924

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid (CID 119914227) is (2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid is O=C(CN1CCC[C@@H]1C(=O)O)NC1(c2ccccc2)CCC1.
What is the InChIKey of (2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KWRRPAQINRRJQD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-15(12-19-11-4-8-14(19)16(21)22)18-17(9-5-10-17)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,18,20)(H,21,22)/t14-/m1/s1.
What are the key properties of (2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119914227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).