N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide

C13H24N2O3 — CID 125416685

IUPACN-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide
SMILESCCN(CC)C[C@@H]1OC[C@@H](NC(=O)C2CC2)[C@H]1O
InChIInChI=1S/C13H24N2O3/c1-3-15(4-2)7-11-12(16)10(8-18-11)14-13(17)9-5-6-9/h9-12,16H,3-8H2,1-2H3,(H,14,17)/t10-,11+,12-/m1/s1
InChIKeyAFUPLIRFIAZGKL-GRYCIOLGSA-N
MW256.35 g/mol
LogP-0.02
Rot. Bonds6

About N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide

N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide (PubChem CID 125416685) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide
PubChem CID125416685
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide
SMILESCCN(CC)C[C@@H]1OC[C@@H](NC(=O)C2CC2)[C@H]1O
InChIInChI=1S/C13H24N2O3/c1-3-15(4-2)7-11-12(16)10(8-18-11)14-13(17)9-5-6-9/h9-12,16H,3-8H2,1-2H3,(H,14,17)/t10-,11+,12-/m1/s1
InChIKeyAFUPLIRFIAZGKL-GRYCIOLGSA-N
XLogP-0.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide (CID 125416685) is N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide is CCN(CC)C[C@@H]1OC[C@@H](NC(=O)C2CC2)[C@H]1O.
What is the InChIKey of N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide?
The InChIKey is AFUPLIRFIAZGKL-GRYCIOLGSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-15(4-2)7-11-12(16)10(8-18-11)14-13(17)9-5-6-9/h9-12,16H,3-8H2,1-2H3,(H,14,17)/t10-,11+,12-/m1/s1.
What are the key properties of N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide?
N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide has a molecular weight of 256.35 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 125416685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).