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

C10H18N2O2 — CID 79688091

IUPACN-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide
SMILESO=C(N[C@H]1CCNC1)C1CCOCC1
InChIInChI=1S/C10H18N2O2/c13-10(8-2-5-14-6-3-8)12-9-1-4-11-7-9/h8-9,11H,1-7H2,(H,12,13)/t9-/m0/s1
InChIKeySZYYGCGLRJZPKU-VIFPVBQESA-N
MW198.27 g/mol
LogP-0.11
Rot. Bonds2

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

N-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 79688091) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID79688091
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide
SMILESO=C(N[C@H]1CCNC1)C1CCOCC1
InChIInChI=1S/C10H18N2O2/c13-10(8-2-5-14-6-3-8)12-9-1-4-11-7-9/h8-9,11H,1-7H2,(H,12,13)/t9-/m0/s1
InChIKeySZYYGCGLRJZPKU-VIFPVBQESA-N
XLogP-0.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-pyrrolidin-3-yl]piperidine-4-carboxamide
CID 91470745
N-(oxan-4-yl)piperidine-4-carboxamide;hydrochloride
CID 172899475
N-pyrrolidin-3-ylcyclopentanecarboxamide;hydrochloride
CID 146675555
N-(3-methylpiperidin-4-yl)oxane-4-carboxamide
CID 79886712
3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 131067891
N-piperidin-4-ylcyclopropanecarboxamide
CID 1445166
N-piperidin-4-ylazetidine-3-carboxamide
CID 123647317
N-[(3R)-pyrrolidin-3-yl]thiolane-3-carboxamide
CID 79689053
3-amino-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 130840799
(3R)-N-pyrrolidin-3-ylmorpholine-3-carboxamide;hydrochloride
CID 130748088
N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide
CID 103977188
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide (CID 79688091) is N-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide is O=C(N[C@H]1CCNC1)C1CCOCC1.
What is the InChIKey of N-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is SZYYGCGLRJZPKU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10(8-2-5-14-6-3-8)12-9-1-4-11-7-9/h8-9,11H,1-7H2,(H,12,13)/t9-/m0/s1.
What are the key properties of N-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide?
N-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 198.27 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 79688091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).