tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate

C10H21N3O2 — CID 131124333

IUPACtert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](N)C[C@@H]1CN
InChIInChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-6-7(12)4-8(13)5-11/h7-8H,4-6,11-12H2,1-3H3/t7-,8+/m0/s1
InChIKeyYQIMGBRWDKYDPJ-JGVFFNPUSA-N
MW215.30 g/mol
LogP0.28
Rot. Bonds1

About tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate

tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate (PubChem CID 131124333) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate
PubChem CID131124333
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Nametert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](N)C[C@@H]1CN
InChIInChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-6-7(12)4-8(13)5-11/h7-8H,4-6,11-12H2,1-3H3/t7-,8+/m0/s1
InChIKeyYQIMGBRWDKYDPJ-JGVFFNPUSA-N
XLogP0.28
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (1R,4S,6R)-4-(aminomethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 59363697
tert-butyl (2R,4S)-4-amino-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 124662507
tert-butyl 2-(aminomethyl)-4-methoxypyrrolidine-1-carboxylate
CID 77452832
tert-butyl 4-amino-2-azabicyclo[4.1.0]heptane-2-carboxylate
CID 117045380
tert-butyl (2S,4S)-4-amino-2-carbamoylpyrrolidine-1-carboxylate
CID 21308807
[4-amino-2-(aminomethyl)pyrrolidin-1-yl] tert-butyl carbonate
CID 69131511
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
1-O-tert-butyl 2-O-methyl (2R,4R)-4-aminopyrrolidine-1,2-dicarboxylate
CID 7128407
tert-butyl (2S,4S)-4-amino-2-[(4-methoxycarbonylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 58778520
tert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate
CID 175594772
tert-butyl 4-amino-2-[(3-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate
CID 175594788
tert-butyl (2S,4S)-2-(bromomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 170900143

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate (CID 131124333) is tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](N)C[C@@H]1CN.
What is the InChIKey of tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate?
The InChIKey is YQIMGBRWDKYDPJ-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-6-7(12)4-8(13)5-11/h7-8H,4-6,11-12H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate?
tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate has a molecular weight of 215.30 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 131124333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).