tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate

C12H25N3O2 — CID 107239410

IUPACtert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate
SMILESCC(CN)NC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H25N3O2/c1-9(7-13)14-10-5-6-15(8-10)11(16)17-12(2,3)4/h9-10,14H,5-8,13H2,1-4H3
InChIKeyRYKBUFAFXWVOBT-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.93
Rot. Bonds3

About tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate

tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate (PubChem CID 107239410) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate
PubChem CID107239410
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Nametert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate
SMILESCC(CN)NC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H25N3O2/c1-9(7-13)14-10-5-6-15(8-10)11(16)17-12(2,3)4/h9-10,14H,5-8,13H2,1-4H3
InChIKeyRYKBUFAFXWVOBT-UHFFFAOYSA-N
XLogP0.93
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(1-methoxy-1-oxopropan-2-yl)amino]pyrrolidine-1-carboxylate
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tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate
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tert-butyl 3-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrrolidine-1-carboxylate
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tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
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tert-butyl 3-[(2-fluoro-2-methylpropyl)amino]pyrrolidine-1-carboxylate
CID 84710216
tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate
CID 81462982
tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246551
tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane
CID 145162230
tert-butyl 4-(pentan-2-ylamino)azepane-1-carboxylate
CID 103980373
tert-butyl 3-[1-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103783530

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate (CID 107239410) is tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate is CC(CN)NC1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate?
The InChIKey is RYKBUFAFXWVOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(7-13)14-10-5-6-15(8-10)11(16)17-12(2,3)4/h9-10,14H,5-8,13H2,1-4H3.
What are the key properties of tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate?
tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 107239410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).