[(2S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol

C9H20N2O — CID 58361150

IUPAC[(2S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol
SMILESCC(C)(C)N1CC(N)C[C@H]1CO
InChIInChI=1S/C9H20N2O/c1-9(2,3)11-5-7(10)4-8(11)6-12/h7-8,12H,4-6,10H2,1-3H3/t7?,8-/m0/s1
InChIKeyCIETYXKLNGKUGG-MQWKRIRWSA-N
MW172.27 g/mol
LogP0.18
Rot. Bonds1

About [(2S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol

[(2S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol (PubChem CID 58361150) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is [(2S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol
PubChem CID58361150
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name[(2S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol
SMILESCC(C)(C)N1CC(N)C[C@H]1CO
InChIInChI=1S/C9H20N2O/c1-9(2,3)11-5-7(10)4-8(11)6-12/h7-8,12H,4-6,10H2,1-3H3/t7?,8-/m0/s1
InChIKeyCIETYXKLNGKUGG-MQWKRIRWSA-N
XLogP0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol (CID 58361150) is [(2S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol is CC(C)(C)N1CC(N)C[C@H]1CO.
What is the InChIKey of [(2S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol?
The InChIKey is CIETYXKLNGKUGG-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2,3)11-5-7(10)4-8(11)6-12/h7-8,12H,4-6,10H2,1-3H3/t7?,8-/m0/s1.
What are the key properties of [(2S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol?
[(2S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol has a molecular weight of 172.27 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-amino-1-tert-butylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 58361150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).