1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol

C8H18N2O — CID 94340735

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CC[C@@H](N)C1
InChIInChI=1S/C8H18N2O/c1-8(2,11)6-10-4-3-7(9)5-10/h7,11H,3-6,9H2,1-2H3/t7-/m1/s1
InChIKeyVDMURYIBJNVHLD-SSDOTTSWSA-N
MW158.25 g/mol
LogP-0.21
Rot. Bonds2

About 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol

1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol (PubChem CID 94340735) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol
PubChem CID94340735
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CC[C@@H](N)C1
InChIInChI=1S/C8H18N2O/c1-8(2,11)6-10-4-3-7(9)5-10/h7,11H,3-6,9H2,1-2H3/t7-/m1/s1
InChIKeyVDMURYIBJNVHLD-SSDOTTSWSA-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 ≤ 500158.25
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 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol (CID 94340735) is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CC[C@@H](N)C1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is VDMURYIBJNVHLD-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2,11)6-10-4-3-7(9)5-10/h7,11H,3-6,9H2,1-2H3/t7-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol?
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 158.25 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 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 94340735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).