tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate

C12H24N2O2 — CID 129371675

IUPACtert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate
SMILESCCC[C@@]1(N)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-5-6-12(13)7-8-14(9-12)10(15)16-11(2,3)4/h5-9,13H2,1-4H3/t12-/m1/s1
InChIKeyNHVUGCRXJOBCMC-GFCCVEGCSA-N
MW228.34 g/mol
LogP2.12
Rot. Bonds2

About tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate

tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate (PubChem CID 129371675) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate
PubChem CID129371675
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate
SMILESCCC[C@@]1(N)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-5-6-12(13)7-8-14(9-12)10(15)16-11(2,3)4/h5-9,13H2,1-4H3/t12-/m1/s1
InChIKeyNHVUGCRXJOBCMC-GFCCVEGCSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate
CID 146844151
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899
tert-butyl 3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82662965
tert-butyl (3R)-3-amino-3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 97111496
tert-butyl 3-amino-3-(aminomethyl)azetidine-1-carboxylate
CID 135393346
tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate
CID 115047871
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl 4-amino-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 86276716
tert-butyl 3-ethyl-3-(methylamino)pyrrolidine-1-carboxylate
CID 145231619
tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 105490874

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate (CID 129371675) is tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate is CCC[C@@]1(N)CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate?
The InChIKey is NHVUGCRXJOBCMC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-6-12(13)7-8-14(9-12)10(15)16-11(2,3)4/h5-9,13H2,1-4H3/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate?
tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate is sourced from PubChem (CID 129371675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).