1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate

C14H20N2O6 — CID 54165114

IUPAC1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)On1c(O)ccc1O
InChIInChI=1S/C14H20N2O6/c1-14(2,3)21-13(20)15-8-4-5-9(15)12(19)22-16-10(17)6-7-11(16)18/h6-7,9,17-18H,4-5,8H2,1-3H3/t9-/m0/s1
InChIKeyORCSMEONKXWOJA-VIFPVBQESA-N
MW312.32 g/mol
LogP1.25
Rot. Bonds2

About 1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate (PubChem CID 54165114) has the molecular formula C14H20N2O6 and a molecular weight of 312.32 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate
PubChem CID54165114
Molecular FormulaC14H20N2O6
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)On1c(O)ccc1O
InChIInChI=1S/C14H20N2O6/c1-14(2,3)21-13(20)15-8-4-5-9(15)12(19)22-16-10(17)6-7-11(16)18/h6-7,9,17-18H,4-5,8H2,1-3H3/t9-/m0/s1
InChIKeyORCSMEONKXWOJA-VIFPVBQESA-N
XLogP1.25
TPSA101.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dihydroxypyrrol-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 54565824
1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-4-fluoropyrrolidine-1,2-dicarboxylate
CID 91291927
(2,5-dihydroxypyrrol-1-yl) (2S)-6-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate
CID 53653351
(2,5-dihydroxypyrrol-1-yl) (2S)-2-acetamido-4-methylpentanoate
CID 53696439
(2,5-dihydroxypyrrol-1-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 53795865
(2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-(2,5-dihydroxypyrrol-1-yl)oxy-4-oxobutanoic acid
CID 53960483
(2,5-dihydroxypyrrol-1-yl) (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 53987788
(2,5-Dihydroxypyrrol-1-yl) 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoate
CID 53989263
(2,5-dihydroxypyrrol-1-yl) (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 53991653
(2,5-dihydroxypyrrol-1-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 54025288
(2,5-dihydroxypyrrol-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 54025289
(2,5-Dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 54054803

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate (CID 54165114) is 1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)On1c(O)ccc1O.
What is the InChIKey of 1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate?
The InChIKey is ORCSMEONKXWOJA-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20N2O6/c1-14(2,3)21-13(20)15-8-4-5-9(15)12(19)22-16-10(17)6-7-11(16)18/h6-7,9,17-18H,4-5,8H2,1-3H3/t9-/m0/s1.
What are the key properties of 1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate has a molecular weight of 312.32 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 54165114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).