[(2R,4R)-4-amino-1-ethylpyrrolidin-2-yl]methanol

C7H16N2O — CID 10678377

IUPAC[(2R,4R)-4-amino-1-ethylpyrrolidin-2-yl]methanol
SMILESCCN1C[C@H](N)C[C@@H]1CO
InChIInChI=1S/C7H16N2O/c1-2-9-4-6(8)3-7(9)5-10/h6-7,10H,2-5,8H2,1H3/t6-,7-/m1/s1
InChIKeyTYHGWSFHGKZASI-RNFRBKRXSA-N
MW144.22 g/mol
LogP-0.60
Rot. Bonds2

About [(2R,4R)-4-amino-1-ethylpyrrolidin-2-yl]methanol

[(2R,4R)-4-amino-1-ethylpyrrolidin-2-yl]methanol (PubChem CID 10678377) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is [(2R,4R)-4-amino-1-ethylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-4-amino-1-ethylpyrrolidin-2-yl]methanol
PubChem CID10678377
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name[(2R,4R)-4-amino-1-ethylpyrrolidin-2-yl]methanol
SMILESCCN1C[C@H](N)C[C@@H]1CO
InChIInChI=1S/C7H16N2O/c1-2-9-4-6(8)3-7(9)5-10/h6-7,10H,2-5,8H2,1H3/t6-,7-/m1/s1
InChIKeyTYHGWSFHGKZASI-RNFRBKRXSA-N
XLogP-0.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-amino-1-ethylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,4R)-4-amino-1-ethylpyrrolidin-2-yl]methanol (CID 10678377) is [(2R,4R)-4-amino-1-ethylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,4R)-4-amino-1-ethylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,4R)-4-amino-1-ethylpyrrolidin-2-yl]methanol is CCN1C[C@H](N)C[C@@H]1CO.
What is the InChIKey of [(2R,4R)-4-amino-1-ethylpyrrolidin-2-yl]methanol?
The InChIKey is TYHGWSFHGKZASI-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H16N2O/c1-2-9-4-6(8)3-7(9)5-10/h6-7,10H,2-5,8H2,1H3/t6-,7-/m1/s1.
What are the key properties of [(2R,4R)-4-amino-1-ethylpyrrolidin-2-yl]methanol?
[(2R,4R)-4-amino-1-ethylpyrrolidin-2-yl]methanol has a molecular weight of 144.22 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-amino-1-ethylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 10678377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).