tert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate

C9H16N2O4 — CID 151181116

IUPACtert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N)C1=O
InChIInChI=1S/C9H16N2O4/c1-9(2,3)15-8(14)11-4-5(12)6(10)7(11)13/h5-6,12H,4,10H2,1-3H3/t5-,6+/m1/s1
InChIKeyNEHSKDQRSWGVAZ-RITPCOANSA-N
MW216.24 g/mol
LogP-0.55
Rot. Bonds

About tert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate

tert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate (PubChem CID 151181116) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is tert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate
PubChem CID151181116
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Nametert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N)C1=O
InChIInChI=1S/C9H16N2O4/c1-9(2,3)15-8(14)11-4-5(12)6(10)7(11)13/h5-6,12H,4,10H2,1-3H3/t5-,6+/m1/s1
InChIKeyNEHSKDQRSWGVAZ-RITPCOANSA-N
XLogP-0.55
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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acetic acid;tert-butyl (3S,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate
CID 138393610
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate
CID 99770590
tert-butyl (3S)-3-amino-2,3-dihydroindole-1-carboxylate;hydrochloride
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tert-butyl 5-amino-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 54384310
tert-butyl 4-methyl-3-[2-(4-methylphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxylate
CID 170166861
tert-butyl (1R)-1-(4-methylphenyl)-4-oxo-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 58725228

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate (CID 151181116) is tert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N)C1=O.
What is the InChIKey of tert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate?
The InChIKey is NEHSKDQRSWGVAZ-RITPCOANSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-9(2,3)15-8(14)11-4-5(12)6(10)7(11)13/h5-6,12H,4,10H2,1-3H3/t5-,6+/m1/s1.
What are the key properties of tert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate?
tert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate has a molecular weight of 216.24 g/mol, XLogP of -0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 151181116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).