tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate

C14H24N2O4 — CID 103762213

IUPACtert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
SMILESCC(C)[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O4/c1-8(2)11(13(19)20-14(3,4)5)16-12(18)9-6-7-10(17)15-9/h8-9,11H,6-7H2,1-5H3,(H,15,17)(H,16,18)/t9-,11+/m1/s1
InChIKeyOHMXCGWTXHVRPN-KOLCDFICSA-N
MW284.36 g/mol
LogP0.75
Rot. Bonds4

About tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate

tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate (PubChem CID 103762213) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate.

Molecular Properties

Compound Nametert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
PubChem CID103762213
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
SMILESCC(C)[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O4/c1-8(2)11(13(19)20-14(3,4)5)16-12(18)9-6-7-10(17)15-9/h8-9,11H,6-7H2,1-5H3,(H,15,17)(H,16,18)/t9-,11+/m1/s1
InChIKeyOHMXCGWTXHVRPN-KOLCDFICSA-N
XLogP0.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate?
The IUPAC name of tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate (CID 103762213) is tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate.
What is the SMILES notation for tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate?
The canonical SMILES for tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate is CC(C)[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate?
The InChIKey is OHMXCGWTXHVRPN-KOLCDFICSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-8(2)11(13(19)20-14(3,4)5)16-12(18)9-6-7-10(17)15-9/h8-9,11H,6-7H2,1-5H3,(H,15,17)(H,16,18)/t9-,11+/m1/s1.
What are the key properties of tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate?
tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate has a molecular weight of 284.36 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate is sourced from PubChem (CID 103762213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).