N-[(4S)-4-methoxypyrrolidin-3-yl]oxane-4-carboxamide

C11H20N2O3 — CID 43593969

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]oxane-4-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)C1CCOCC1
InChIInChI=1S/C11H20N2O3/c1-15-10-7-12-6-9(10)13-11(14)8-2-4-16-5-3-8/h8-10,12H,2-7H2,1H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyIETZWOLSRFUUKG-AXDSSHIGSA-N
MW228.29 g/mol
LogP-0.48
Rot. Bonds3

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

N-[(4S)-4-methoxypyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 43593969) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID43593969
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]oxane-4-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)C1CCOCC1
InChIInChI=1S/C11H20N2O3/c1-15-10-7-12-6-9(10)13-11(14)8-2-4-16-5-3-8/h8-10,12H,2-7H2,1H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyIETZWOLSRFUUKG-AXDSSHIGSA-N
XLogP-0.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]oxane-4-carboxamide (CID 43593969) is N-[(4S)-4-methoxypyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]oxane-4-carboxamide is CO[C@H]1CNCC1NC(=O)C1CCOCC1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is IETZWOLSRFUUKG-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-15-10-7-12-6-9(10)13-11(14)8-2-4-16-5-3-8/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]oxane-4-carboxamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 43593969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).