tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate

C14H24N2O4 — CID 81002762

IUPACtert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
SMILESCC(=O)NC(C)C(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O4/c1-9(15-10(2)17)12(18)16-8-6-7-11(16)13(19)20-14(3,4)5/h9,11H,6-8H2,1-5H3,(H,15,17)/t9?,11-/m1/s1
InChIKeyUIBVSJAEARAKHU-HCCKASOXSA-N
MW284.36 g/mol
LogP0.84
Rot. Bonds3

About tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate

tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate (PubChem CID 81002762) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
PubChem CID81002762
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
SMILESCC(=O)NC(C)C(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O4/c1-9(15-10(2)17)12(18)16-8-6-7-11(16)13(19)20-14(3,4)5/h9,11H,6-8H2,1-5H3,(H,15,17)/t9?,11-/m1/s1
InChIKeyUIBVSJAEARAKHU-HCCKASOXSA-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

tert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate
CID 81002932
methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 18928254
methyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 139066167
ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 55006105
tert-butyl (2S)-1-[(2R)-2-acetamido-3-acetylsulfanylpropanoyl]pyrrolidine-2-carboxylate
CID 88629388
tert-butyl (2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylate
CID 134917740
tert-butyl (2S)-1-[(2S)-2-[[(2R)-2-bromo-3-phenylpropanoyl]amino]propanoyl]pyrrolidine-2-carboxylate
CID 70459339
tert-butyl (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylate
CID 81002524
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703
tert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 18602359
S-ethyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbothioate
CID 12968644
methyl (2S)-1-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate
CID 175132001

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate (CID 81002762) is tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate is CC(=O)NC(C)C(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is UIBVSJAEARAKHU-HCCKASOXSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9(15-10(2)17)12(18)16-8-6-7-11(16)13(19)20-14(3,4)5/h9,11H,6-8H2,1-5H3,(H,15,17)/t9?,11-/m1/s1.
What are the key properties of tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-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 tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 81002762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).