tert-butyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate

C14H24N2O3 — CID 21080215

IUPACtert-butyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-10-6-7-11(16)12(17)15-8-4-5-9-15/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyLAWPGSGXPGSRTD-NSHDSACASA-N
MW268.36 g/mol
LogP2.01
Rot. Bonds1

About tert-butyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate

tert-butyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 21080215) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
PubChem CID21080215
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-10-6-7-11(16)12(17)15-8-4-5-9-15/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyLAWPGSGXPGSRTD-NSHDSACASA-N
XLogP2.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate (CID 21080215) is tert-butyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCCC1.
What is the InChIKey of tert-butyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is LAWPGSGXPGSRTD-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-10-6-7-11(16)12(17)15-8-4-5-9-15/h11H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 21080215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).