(3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol

C8H18N2O — CID 158152274

IUPAC(3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol
SMILESCC(C)(C)N1C[C@@H](N)[C@H](O)C1
InChIInChI=1S/C8H18N2O/c1-8(2,3)10-4-6(9)7(11)5-10/h6-7,11H,4-5,9H2,1-3H3/t6-,7-/m1/s1
InChIKeyFVGIORVBCKEHKB-RNFRBKRXSA-N
MW158.24 g/mol
LogP-0.21
Rot. Bonds

About (3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol

(3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol (PubChem CID 158152274) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol
PubChem CID158152274
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol
SMILESCC(C)(C)N1C[C@@H](N)[C@H](O)C1
InChIInChI=1S/C8H18N2O/c1-8(2,3)10-4-6(9)7(11)5-10/h6-7,11H,4-5,9H2,1-3H3/t6-,7-/m1/s1
InChIKeyFVGIORVBCKEHKB-RNFRBKRXSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butylpyrrolidine-3,4-diamine
CID 89335821
(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol
CID 90286839
(3R,5S)-1-tert-butylpiperidine-3,4,5-triol
CID 172518129
1-tert-butyl-4-methylpyrrolidin-3-ol
CID 58311491
(3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol
CID 159687975
(3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol
CID 172518164
(3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol
CID 11889808
3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol
CID 90396044
methyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate
CID 89461042
7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
CID 140929393
1-tert-butyl-4-ethylpiperidin-3-ol
CID 146520403
(3S,4S,5R)-3-amino-1-[1-[(3S,5R)-3-amino-1-[1-[(3R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-ol
CID 135213257

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol (CID 158152274) is (3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol is CC(C)(C)N1C[C@@H](N)[C@H](O)C1.
What is the InChIKey of (3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol?
The InChIKey is FVGIORVBCKEHKB-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2,3)10-4-6(9)7(11)5-10/h6-7,11H,4-5,9H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol?
(3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol has a molecular weight of 158.24 g/mol, XLogP of -0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol is sourced from PubChem (CID 158152274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).