tert-butyl (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxylate

C14H26N2O3 — CID 11196516

IUPACtert-butyl (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxylate
SMILESCC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-9(2)11(15)12(17)16-8-6-7-10(16)13(18)19-14(3,4)5/h9-11H,6-8,15H2,1-5H3/t10-,11-/m0/s1
InChIKeyGJFKAKDMDPBXIS-QWRGUYRKSA-N
MW270.37 g/mol
LogP1.30
Rot. Bonds3

About tert-butyl (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxylate

tert-butyl (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxylate (PubChem CID 11196516) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxylate
PubChem CID11196516
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxylate
SMILESCC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-9(2)11(15)12(17)16-8-6-7-10(16)13(18)19-14(3,4)5/h9-11H,6-8,15H2,1-5H3/t10-,11-/m0/s1
InChIKeyGJFKAKDMDPBXIS-QWRGUYRKSA-N
XLogP1.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxylate (CID 11196516) is tert-butyl (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxylate is CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxylate?
The InChIKey is GJFKAKDMDPBXIS-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)11(15)12(17)16-8-6-7-10(16)13(18)19-14(3,4)5/h9-11H,6-8,15H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of tert-butyl (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxylate?
tert-butyl (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 11196516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).