N-[(4S)-4-methoxypyrrolidin-3-yl]cyclopentanecarboxamide

C11H20N2O2 — CID 43594020

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]cyclopentanecarboxamide
SMILESCO[C@H]1CNCC1NC(=O)C1CCCC1
InChIInChI=1S/C11H20N2O2/c1-15-10-7-12-6-9(10)13-11(14)8-4-2-3-5-8/h8-10,12H,2-7H2,1H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyVDJCKKRUWOIATL-AXDSSHIGSA-N
MW212.29 g/mol
LogP0.28
Rot. Bonds3

About N-[(4S)-4-methoxypyrrolidin-3-yl]cyclopentanecarboxamide

N-[(4S)-4-methoxypyrrolidin-3-yl]cyclopentanecarboxamide (PubChem CID 43594020) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]cyclopentanecarboxamide
PubChem CID43594020
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]cyclopentanecarboxamide
SMILESCO[C@H]1CNCC1NC(=O)C1CCCC1
InChIInChI=1S/C11H20N2O2/c1-15-10-7-12-6-9(10)13-11(14)8-4-2-3-5-8/h8-10,12H,2-7H2,1H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyVDJCKKRUWOIATL-AXDSSHIGSA-N
XLogP0.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]cyclopentanecarboxamide (CID 43594020) is N-[(4S)-4-methoxypyrrolidin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]cyclopentanecarboxamide is CO[C@H]1CNCC1NC(=O)C1CCCC1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]cyclopentanecarboxamide?
The InChIKey is VDJCKKRUWOIATL-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-10-7-12-6-9(10)13-11(14)8-4-2-3-5-8/h8-10,12H,2-7H2,1H3,(H,13,14)/t9?,10-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]cyclopentanecarboxamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]cyclopentanecarboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 43594020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).