N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide

C13H26N2O2 — CID 82987791

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C13H26N2O2/c1-4-6-10(7-5-2)13(17)15(3)11-8-14-9-12(11)16/h10-12,14,16H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeySAKWRAZNCFGAAE-VXGBXAGGSA-N
MW242.36 g/mol
LogP0.99
Rot. Bonds6

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide (PubChem CID 82987791) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide
PubChem CID82987791
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C13H26N2O2/c1-4-6-10(7-5-2)13(17)15(3)11-8-14-9-12(11)16/h10-12,14,16H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeySAKWRAZNCFGAAE-VXGBXAGGSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide (CID 82987791) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide is CCCC(CCC)C(=O)N(C)[C@@H]1CNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide?
The InChIKey is SAKWRAZNCFGAAE-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-6-10(7-5-2)13(17)15(3)11-8-14-9-12(11)16/h10-12,14,16H,4-9H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide has a molecular weight of 242.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide is sourced from PubChem (CID 82987791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).