N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide

C13H24N2O3 — CID 75536552

IUPACN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESCN(C)[C@@H]1CO[C@H](CNC(=O)C2CCCC2)[C@H]1O
InChIInChI=1S/C13H24N2O3/c1-15(2)10-8-18-11(12(10)16)7-14-13(17)9-5-3-4-6-9/h9-12,16H,3-8H2,1-2H3,(H,14,17)/t10-,11-,12+/m1/s1
InChIKeyLCGGWIAUSZYVDM-UTUOFQBUSA-N
MW256.35 g/mol
LogP-0.02
Rot. Bonds4

About N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide

N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide (PubChem CID 75536552) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
PubChem CID75536552
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESCN(C)[C@@H]1CO[C@H](CNC(=O)C2CCCC2)[C@H]1O
InChIInChI=1S/C13H24N2O3/c1-15(2)10-8-18-11(12(10)16)7-14-13(17)9-5-3-4-6-9/h9-12,16H,3-8H2,1-2H3,(H,14,17)/t10-,11-,12+/m1/s1
InChIKeyLCGGWIAUSZYVDM-UTUOFQBUSA-N
XLogP-0.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide (CID 75536552) is N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide is CN(C)[C@@H]1CO[C@H](CNC(=O)C2CCCC2)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
The InChIKey is LCGGWIAUSZYVDM-UTUOFQBUSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-15(2)10-8-18-11(12(10)16)7-14-13(17)9-5-3-4-6-9/h9-12,16H,3-8H2,1-2H3,(H,14,17)/t10-,11-,12+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide has a molecular weight of 256.35 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 75536552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).