N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide

C14H26N2O2 — CID 90438036

IUPACN-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCC(C)(C)N1CC[C@@H](NC(=O)C2CCOCC2)C1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)16-7-4-12(10-16)15-13(17)11-5-8-18-9-6-11/h11-12H,4-10H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeyNAEXPGLTMKOAKW-GFCCVEGCSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds2

About N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide

N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 90438036) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID90438036
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCC(C)(C)N1CC[C@@H](NC(=O)C2CCOCC2)C1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)16-7-4-12(10-16)15-13(17)11-5-8-18-9-6-11/h11-12H,4-10H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeyNAEXPGLTMKOAKW-GFCCVEGCSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide (CID 90438036) is N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide is CC(C)(C)N1CC[C@@H](NC(=O)C2CCOCC2)C1.
What is the InChIKey of N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is NAEXPGLTMKOAKW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)16-7-4-12(10-16)15-13(17)11-5-8-18-9-6-11/h11-12H,4-10H2,1-3H3,(H,15,17)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide?
N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 90438036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).