tert-butyl (2R,4R)-2-[4-[(2R)-4-amino-4-oxobutan-2-yl]phenyl]-4-hydroxypyrrolidine-1-carboxylate

C19H28N2O4 — CID 142084358

IUPACtert-butyl (2R,4R)-2-[4-[(2R)-4-amino-4-oxobutan-2-yl]phenyl]-4-hydroxypyrrolidine-1-carboxylate
SMILESC[C@H](CC(N)=O)c1ccc([C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H28N2O4/c1-12(9-17(20)23)13-5-7-14(8-6-13)16-10-15(22)11-21(16)18(24)25-19(2,3)4/h5-8,12,15-16,22H,9-11H2,1-4H3,(H2,20,23)/t12-,15-,16-/m1/s1
InChIKeyMNXWRLHJGXUUDB-DAXOMENPSA-N
MW348.44 g/mol
LogP2.71
Rot. Bonds4

About tert-butyl (2R,4R)-2-[4-[(2R)-4-amino-4-oxobutan-2-yl]phenyl]-4-hydroxypyrrolidine-1-carboxylate

tert-butyl (2R,4R)-2-[4-[(2R)-4-amino-4-oxobutan-2-yl]phenyl]-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 142084358) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-[4-[(2R)-4-amino-4-oxobutan-2-yl]phenyl]-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-2-[4-[(2R)-4-amino-4-oxobutan-2-yl]phenyl]-4-hydroxypyrrolidine-1-carboxylate
PubChem CID142084358
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Nametert-butyl (2R,4R)-2-[4-[(2R)-4-amino-4-oxobutan-2-yl]phenyl]-4-hydroxypyrrolidine-1-carboxylate
SMILESC[C@H](CC(N)=O)c1ccc([C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H28N2O4/c1-12(9-17(20)23)13-5-7-14(8-6-13)16-10-15(22)11-21(16)18(24)25-19(2,3)4/h5-8,12,15-16,22H,9-11H2,1-4H3,(H2,20,23)/t12-,15-,16-/m1/s1
InChIKeyMNXWRLHJGXUUDB-DAXOMENPSA-N
XLogP2.71
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R,4R)-2-[4-[(2R)-4-amino-4-oxobutan-2-yl]phenyl]-4-hydroxypyrrolidine-1-carboxylate with MolForge

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Related Compounds

(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49846983
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49847056
(2S)-1-[(3S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]pyrrolidine-2-carboxylic acid
CID 127034136
(4S)-4-Benzyl-3[(2S,3R)-(3-hydroxy-2-methylpentanoyl)]oxazolidin-2-on
CID 11022653
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
CID 12099261
(4R)-4-benzyl-3-[(2R,3S,4R,6E,8E)-3-hydroxy-2,4-dimethyldeca-6,8-dienoyl]-1,3-oxazolidin-2-one
CID 89857080
(2S,3R)-5-((1S,3R)-3-Butylcarbamoyl-1-hydroxy-butyl)-3-methyl-2-phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 44292210
Tert-butyl 3-[[(4-ethylbenzoyl)amino]methyl]-4-hydroxypyrrolidine-1-carboxylate
CID 119038070
(2S,3R,4R)-4-hydroxy-N-(4-hydroxybutyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 126840637
S-4-benzyl-3-((S)-3-hydroxy-2,2-dimethyloctanoyl)oxazolidin-2-one
CID 124079542
R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloctanoyl)oxazolidin-2-one
CID 124079543

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-[4-[(2R)-4-amino-4-oxobutan-2-yl]phenyl]-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-2-[4-[(2R)-4-amino-4-oxobutan-2-yl]phenyl]-4-hydroxypyrrolidine-1-carboxylate (CID 142084358) is tert-butyl (2R,4R)-2-[4-[(2R)-4-amino-4-oxobutan-2-yl]phenyl]-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-2-[4-[(2R)-4-amino-4-oxobutan-2-yl]phenyl]-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-2-[4-[(2R)-4-amino-4-oxobutan-2-yl]phenyl]-4-hydroxypyrrolidine-1-carboxylate is C[C@H](CC(N)=O)c1ccc([C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl (2R,4R)-2-[4-[(2R)-4-amino-4-oxobutan-2-yl]phenyl]-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is MNXWRLHJGXUUDB-DAXOMENPSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-12(9-17(20)23)13-5-7-14(8-6-13)16-10-15(22)11-21(16)18(24)25-19(2,3)4/h5-8,12,15-16,22H,9-11H2,1-4H3,(H2,20,23)/t12-,15-,16-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-2-[4-[(2R)-4-amino-4-oxobutan-2-yl]phenyl]-4-hydroxypyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-2-[4-[(2R)-4-amino-4-oxobutan-2-yl]phenyl]-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-[4-[(2R)-4-amino-4-oxobutan-2-yl]phenyl]-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 142084358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).