tert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate

C15H20N2O3 — CID 19023596

IUPACtert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CN(c2ccccc2)C(=O)C1N
InChIInChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)11-9-17(13(18)12(11)16)10-7-5-4-6-8-10/h4-8,11-12H,9,16H2,1-3H3
InChIKeyWYWIAKMKWCXECV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.32
Rot. Bonds2

About tert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate

tert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate (PubChem CID 19023596) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate
PubChem CID19023596
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nametert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CN(c2ccccc2)C(=O)C1N
InChIInChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)11-9-17(13(18)12(11)16)10-7-5-4-6-8-10/h4-8,11-12H,9,16H2,1-3H3
InChIKeyWYWIAKMKWCXECV-UHFFFAOYSA-N
XLogP1.32
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 167011785
tert-butyl (3R,4R)-5-oxo-1-phenyl-4-(pyrazine-2-carbonylamino)pyrrolidine-3-carboxylate
CID 67794560
3-O-benzyl 1-O-tert-butyl 4-amino-5-oxopyrrolidine-1,3-dicarboxylate
CID 150984275
trans-tert-butyl (1S,2S)-2-benzoylcyclopropane-1-carboxylate
CID 12996560
4-O-benzyl 1-O,3-O-ditert-butyl (3R,4R)-pyrrolidine-1,3,4-tricarboxylate
CID 59066098
4-O-benzyl 1-O,3-O-ditert-butyl (3R,4R)-pyrrolidine-1,3,4-tricarboxylate;ethane
CID 90773758
tert-butyl (2R,3R)-2-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
CID 124925235
tert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate
CID 75511205
tert-butyl (3S,4S)-4-amino-5-oxooxolane-3-carboxylate
CID 67056502
[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
CID 18978728
cis-tert-butyl (1S,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 163289434
tert-butyl 1-benzylaziridine-2-carboxylate
CID 14666509

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate (CID 19023596) is tert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate is CC(C)(C)OC(=O)C1CN(c2ccccc2)C(=O)C1N.
What is the InChIKey of tert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate?
The InChIKey is WYWIAKMKWCXECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)11-9-17(13(18)12(11)16)10-7-5-4-6-8-10/h4-8,11-12H,9,16H2,1-3H3.
What are the key properties of tert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate?
tert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 19023596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).