tert-butyl (2R,3R)-2-(2-methylpropanoyl)-3-propan-2-ylpyrrolidine-1-carboxylate

C16H29NO3 — CID 129463332

IUPACtert-butyl (2R,3R)-2-(2-methylpropanoyl)-3-propan-2-ylpyrrolidine-1-carboxylate
SMILESCC(C)C(=O)[C@H]1[C@@H](C(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-10(2)12-8-9-17(13(12)14(18)11(3)4)15(19)20-16(5,6)7/h10-13H,8-9H2,1-7H3/t12-,13-/m1/s1
InChIKeyVEFRSVPBQSYPFT-CHWSQXEVSA-N
MW283.41 g/mol
LogP3.49
Rot. Bonds3

About tert-butyl (2R,3R)-2-(2-methylpropanoyl)-3-propan-2-ylpyrrolidine-1-carboxylate

tert-butyl (2R,3R)-2-(2-methylpropanoyl)-3-propan-2-ylpyrrolidine-1-carboxylate (PubChem CID 129463332) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl (2R,3R)-2-(2-methylpropanoyl)-3-propan-2-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-2-(2-methylpropanoyl)-3-propan-2-ylpyrrolidine-1-carboxylate
PubChem CID129463332
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl (2R,3R)-2-(2-methylpropanoyl)-3-propan-2-ylpyrrolidine-1-carboxylate
SMILESCC(C)C(=O)[C@H]1[C@@H](C(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-10(2)12-8-9-17(13(12)14(18)11(3)4)15(19)20-16(5,6)7/h10-13H,8-9H2,1-7H3/t12-,13-/m1/s1
InChIKeyVEFRSVPBQSYPFT-CHWSQXEVSA-N
XLogP3.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-tert-butyl 2-O-methyl 3-propan-2-ylpiperidine-1,2-dicarboxylate
CID 146675677
(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-propan-2-ylazetidine-2-carboxylic acid
CID 169448535
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,3-dicarboxylic acid
CID 67220720
ditert-butyl (3S)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 90943157
tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate
CID 143769589
tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate
CID 76844460
tert-butyl 2-propan-2-ylaziridine-1-carboxylate
CID 73192324
tert-butyl (2R)-2-aminoazetidine-1-carboxylate
CID 25417768
3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22324543
(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-2-carboxylic acid
CID 86317486
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-2-(2-methylpropanoyl)-3-propan-2-ylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R)-2-(2-methylpropanoyl)-3-propan-2-ylpyrrolidine-1-carboxylate (CID 129463332) is tert-butyl (2R,3R)-2-(2-methylpropanoyl)-3-propan-2-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R)-2-(2-methylpropanoyl)-3-propan-2-ylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R)-2-(2-methylpropanoyl)-3-propan-2-ylpyrrolidine-1-carboxylate is CC(C)C(=O)[C@H]1[C@@H](C(C)C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R)-2-(2-methylpropanoyl)-3-propan-2-ylpyrrolidine-1-carboxylate?
The InChIKey is VEFRSVPBQSYPFT-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H29NO3/c1-10(2)12-8-9-17(13(12)14(18)11(3)4)15(19)20-16(5,6)7/h10-13H,8-9H2,1-7H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-2-(2-methylpropanoyl)-3-propan-2-ylpyrrolidine-1-carboxylate?
tert-butyl (2R,3R)-2-(2-methylpropanoyl)-3-propan-2-ylpyrrolidine-1-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-2-(2-methylpropanoyl)-3-propan-2-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 129463332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).