[(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol

C8H18N2O — CID 130193013

IUPAC[(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol
SMILESCC(C)N1CC(N)C[C@H]1CO
InChIInChI=1S/C8H18N2O/c1-6(2)10-4-7(9)3-8(10)5-11/h6-8,11H,3-5,9H2,1-2H3/t7?,8-/m0/s1
InChIKeyIJUNBASOBWPVMA-MQWKRIRWSA-N
MW158.24 g/mol
LogP-0.21
Rot. Bonds2

About [(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol

[(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol (PubChem CID 130193013) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is [(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol
PubChem CID130193013
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name[(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol
SMILESCC(C)N1CC(N)C[C@H]1CO
InChIInChI=1S/C8H18N2O/c1-6(2)10-4-7(9)3-8(10)5-11/h6-8,11H,3-5,9H2,1-2H3/t7?,8-/m0/s1
InChIKeyIJUNBASOBWPVMA-MQWKRIRWSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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 [(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol (CID 130193013) is [(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol is CC(C)N1CC(N)C[C@H]1CO.
What is the InChIKey of [(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol?
The InChIKey is IJUNBASOBWPVMA-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)10-4-7(9)3-8(10)5-11/h6-8,11H,3-5,9H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of [(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol?
[(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol has a molecular weight of 158.24 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 130193013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).