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

C11H21N3O3 — CID 11806846

IUPACtert-butyl (3S)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](NC(=O)CN)C1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-5-4-8(7-14)13-9(15)6-12/h8H,4-7,12H2,1-3H3,(H,13,15)/t8-/m0/s1
InChIKeyBQNSQKNGVKRSAL-QMMMGPOBSA-N
MW243.31 g/mol
LogP0.07
Rot. Bonds2

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

tert-butyl (3S)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate (PubChem CID 11806846) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate
PubChem CID11806846
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl (3S)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](NC(=O)CN)C1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-5-4-8(7-14)13-9(15)6-12/h8H,4-7,12H2,1-3H3,(H,13,15)/t8-/m0/s1
InChIKeyBQNSQKNGVKRSAL-QMMMGPOBSA-N
XLogP0.07
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate (CID 11806846) is tert-butyl (3S)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CN)C1.
What is the InChIKey of tert-butyl (3S)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is BQNSQKNGVKRSAL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-5-4-8(7-14)13-9(15)6-12/h8H,4-7,12H2,1-3H3,(H,13,15)/t8-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate?
tert-butyl (3S)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11806846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).