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

C12H23N3O3 — CID 66563910

IUPACtert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1CNC(=O)CN
InChIInChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)15-6-4-5-9(15)8-14-10(16)7-13/h9H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyCBHNCAZBYVUDGB-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.46
Rot. Bonds3

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

tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate (PubChem CID 66563910) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate
PubChem CID66563910
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nametert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1CNC(=O)CN
InChIInChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)15-6-4-5-9(15)8-14-10(16)7-13/h9H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyCBHNCAZBYVUDGB-UHFFFAOYSA-N
XLogP0.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-[[(2-chloroacetyl)amino]methyl]pyrrolidine-1-carboxylate
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tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
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tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
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tert-butyl 2-[[(3-amino-2,2-dimethyl-3-oxopropyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106275152
tert-butyl (2R)-2-[(methylcarbamothioylamino)methyl]piperidine-1-carboxylate
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tert-butyl 2-(aminomethyl)azepane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate (CID 66563910) is tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1CNC(=O)CN.
What is the InChIKey of tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is CBHNCAZBYVUDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)15-6-4-5-9(15)8-14-10(16)7-13/h9H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 66563910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).