(3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid

C11H12N2O3 — CID 167011785

IUPAC(3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
SMILESN[C@@H]1C(=O)N(c2ccccc2)C[C@@H]1C(=O)O
InChIInChI=1S/C11H12N2O3/c12-9-8(11(15)16)6-13(10(9)14)7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,15,16)/t8-,9-/m0/s1
InChIKeyBZIRAFMEGDREJH-IUCAKERBSA-N
MW220.23 g/mol
LogP0.06
Rot. Bonds2

About (3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid

(3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid (PubChem CID 167011785) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
PubChem CID167011785
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
SMILESN[C@@H]1C(=O)N(c2ccccc2)C[C@@H]1C(=O)O
InChIInChI=1S/C11H12N2O3/c12-9-8(11(15)16)6-13(10(9)14)7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,15,16)/t8-,9-/m0/s1
InChIKeyBZIRAFMEGDREJH-IUCAKERBSA-N
XLogP0.06
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 19023596
2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009749
(3R,4R)-4-[(4-chlorobenzoyl)amino]-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 67794242
(3R,4S)-4-[(4-chlorobenzoyl)amino]-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 67793964
4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 19023535
(1S,5R,7R)-4-oxo-3-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid
CID 71747890
(5S)-5-amino-1-phenylpiperidin-2-one
CID 91616936
(3R,4S)-3-chloro-4-methyl-1-phenylpyrrolidin-2-one
CID 14417049
6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one
CID 115009727
(3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide
CID 125449083
(2R,3R,5S,6R)-tricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-3,5-dicarboxylic acid
CID 11876849
3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84771045

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid (CID 167011785) is (3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid is N[C@@H]1C(=O)N(c2ccccc2)C[C@@H]1C(=O)O.
What is the InChIKey of (3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is BZIRAFMEGDREJH-IUCAKERBSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-9-8(11(15)16)6-13(10(9)14)7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,15,16)/t8-,9-/m0/s1.
What are the key properties of (3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
(3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 167011785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).