tert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate

C18H30N2O5 — CID 18602359

IUPACtert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1(N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H30N2O5/c1-6-24-16(23)18(9-10-18)19-12(2)14(21)20-11-7-8-13(20)15(22)25-17(3,4)5/h12-13,19H,6-11H2,1-5H3/t12-,13-/m0/s1
InChIKeyJZUZAQPEUOFIIQ-STQMWFEESA-N
MW354.45 g/mol
LogP1.39
Rot. Bonds6

About tert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate

tert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate (PubChem CID 18602359) has the molecular formula C18H30N2O5 and a molecular weight of 354.45 g/mol. Its IUPAC name is tert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate
PubChem CID18602359
Molecular FormulaC18H30N2O5
Molecular Weight354.45 g/mol
Exact Mass354.22
IUPAC Nametert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1(N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H30N2O5/c1-6-24-16(23)18(9-10-18)19-12(2)14(21)20-11-7-8-13(20)15(22)25-17(3,4)5/h12-13,19H,6-11H2,1-5H3/t12-,13-/m0/s1
InChIKeyJZUZAQPEUOFIIQ-STQMWFEESA-N
XLogP1.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate
CID 81002932
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 81002762
tert-butyl (2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylate
CID 134917740
methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 18928254
tert-butyl (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylate
CID 81002524
methyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 139066167
tert-butyl (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-11-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxoundecan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylate
CID 14723813
ethyl (2R)-1-[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 10426764
ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 55006105
ethyl 1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate
CID 143105469
tert-butyl (2S)-1-[(2R)-2-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate
CID 59908492

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate (CID 18602359) is tert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate is CCOC(=O)C1(N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate?
The InChIKey is JZUZAQPEUOFIIQ-STQMWFEESA-N. The full InChI is InChI=1S/C18H30N2O5/c1-6-24-16(23)18(9-10-18)19-12(2)14(21)20-11-7-8-13(20)15(22)25-17(3,4)5/h12-13,19H,6-11H2,1-5H3/t12-,13-/m0/s1.
What are the key properties of tert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate?
tert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 18602359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).