[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol

C12H25NO — CID 157112904

IUPAC[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
SMILESCC(C)C[C@@H]1CN(C(C)C)C[C@@H]1CO
InChIInChI=1S/C12H25NO/c1-9(2)5-11-6-13(10(3)4)7-12(11)8-14/h9-12,14H,5-8H2,1-4H3/t11-,12-/m1/s1
InChIKeyDKYPTCLDXNMUEX-VXGBXAGGSA-N
MW199.34 g/mol
LogP1.98
Rot. Bonds4

About [(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol

[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol (PubChem CID 157112904) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
PubChem CID157112904
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
SMILESCC(C)C[C@@H]1CN(C(C)C)C[C@@H]1CO
InChIInChI=1S/C12H25NO/c1-9(2)5-11-6-13(10(3)4)7-12(11)8-14/h9-12,14H,5-8H2,1-4H3/t11-,12-/m1/s1
InChIKeyDKYPTCLDXNMUEX-VXGBXAGGSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol (CID 157112904) is [(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol is CC(C)C[C@@H]1CN(C(C)C)C[C@@H]1CO.
What is the InChIKey of [(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol?
The InChIKey is DKYPTCLDXNMUEX-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)5-11-6-13(10(3)4)7-12(11)8-14/h9-12,14H,5-8H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of [(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol?
[(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol has a molecular weight of 199.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 157112904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).