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

C12H24N2O2 — CID 82391180

IUPACtert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
SMILESCC(CN)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9(7-13)10-5-6-14(8-10)11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyGEQBGJUNSROXPH-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.84
Rot. Bonds2

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

tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate (PubChem CID 82391180) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
PubChem CID82391180
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
SMILESCC(CN)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9(7-13)10-5-6-14(8-10)11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyGEQBGJUNSROXPH-UHFFFAOYSA-N
XLogP1.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 3-(4-amino-1-fluorobutan-2-yl)pyrrolidine-1-carboxylate
CID 115048626
tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 24730213
tert-butyl (3S)-3-[(1S)-1-hydroxypropyl]pyrrolidine-1-carboxylate
CID 58104614
tert-butyl (3S)-3-[(2S)-1-amino-1-oxobutan-2-yl]pyrrolidine-1-carboxylate
CID 166105503
(2S)-2-amino-2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
CID 93087503
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate
CID 107239410
tert-butyl 3-[4,4-dimethyl-1-(methylamino)pentyl]pyrrolidine-1-carboxylate
CID 107092341
tert-butyl (3S)-3-[(1R)-1-hydroxy-2-propan-2-yloxyethyl]pyrrolidine-1-carboxylate
CID 66859524
tert-butyl 3-(1-amino-2,2,2-trifluoroethyl)pyrrolidine-1-carboxylate
CID 82379516
tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 24730216

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate (CID 82391180) is tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate is CC(CN)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is GEQBGJUNSROXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(7-13)10-5-6-14(8-10)11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3.
What are the key properties of tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 82391180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).