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

C8H18N2O — CID 67028679

IUPAC(3S,4S)-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-/m0/s1
InChIKeyFVGIORVBCKEHKB-BQBZGAKWSA-N
MW158.24 g/mol
LogP-0.21
Rot. Bonds

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

(3S,4S)-4-amino-1-tert-butylpyrrolidin-3-ol (PubChem CID 67028679) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (3S,4S)-4-amino-1-tert-butylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-amino-1-tert-butylpyrrolidin-3-ol
PubChem CID67028679
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(3S,4S)-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-/m0/s1
InChIKeyFVGIORVBCKEHKB-BQBZGAKWSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-1-tert-butylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-amino-1-tert-butylpyrrolidin-3-ol (CID 67028679) is (3S,4S)-4-amino-1-tert-butylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-amino-1-tert-butylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-amino-1-tert-butylpyrrolidin-3-ol is CC(C)(C)N1C[C@H](N)[C@@H](O)C1.
What is the InChIKey of (3S,4S)-4-amino-1-tert-butylpyrrolidin-3-ol?
The InChIKey is FVGIORVBCKEHKB-BQBZGAKWSA-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-/m0/s1.
What are the key properties of (3S,4S)-4-amino-1-tert-butylpyrrolidin-3-ol?
(3S,4S)-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 (3S,4S)-4-amino-1-tert-butylpyrrolidin-3-ol is sourced from PubChem (CID 67028679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).