methyl (2S)-1-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxylate

C14H24N2O4 — CID 135042132

IUPACmethyl (2S)-1-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCC(=O)N1C(C)(C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H24N2O4/c1-13(2,3)15-12(19)14(4,5)16-9(11(18)20-6)7-8-10(16)17/h9H,7-8H2,1-6H3,(H,15,19)/t9-/m0/s1
InChIKeyNYDKCBFLDYGJDW-VIFPVBQESA-N
MW284.36 g/mol
LogP0.84
Rot. Bonds3

About methyl (2S)-1-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxylate

methyl (2S)-1-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxylate (PubChem CID 135042132) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl (2S)-1-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxylate
PubChem CID135042132
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Namemethyl (2S)-1-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCC(=O)N1C(C)(C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H24N2O4/c1-13(2,3)15-12(19)14(4,5)16-9(11(18)20-6)7-8-10(16)17/h9H,7-8H2,1-6H3,(H,15,19)/t9-/m0/s1
InChIKeyNYDKCBFLDYGJDW-VIFPVBQESA-N
XLogP0.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
CID 67459237
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methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate
CID 13458635
methyl 1-(chloromethyl)-5-oxopyrrolidine-2-carboxylate
CID 10583885
CID 59074453
CID 59074453
methyl 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 10570588
methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate
CID 91397358
1-tert-butyl-5-oxopyrrolidine-2-carboxamide
CID 76802841
methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027276
methyl (2S)-1-(2-bromopropanoyl)-5-oxopyrrolidine-2-carboxylate
CID 101265890
methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate
CID 10944700
methyl (2S)-1-(cyanomethyl)-5-oxopyrrolidine-2-carboxylate;sulfane
CID 158958204

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxylate (CID 135042132) is methyl (2S)-1-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCC(=O)N1C(C)(C)C(=O)NC(C)(C)C.
What is the InChIKey of methyl (2S)-1-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxylate?
The InChIKey is NYDKCBFLDYGJDW-VIFPVBQESA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2,3)15-12(19)14(4,5)16-9(11(18)20-6)7-8-10(16)17/h9H,7-8H2,1-6H3,(H,15,19)/t9-/m0/s1.
What are the key properties of methyl (2S)-1-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxylate?
methyl (2S)-1-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 135042132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).