N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride

C8H17ClN2O2 — CID 134283511

IUPACN-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride
SMILESCC(=O)NC[C@@H]1CC[C@@H](N)CO1.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-6(11)10-4-8-3-2-7(9)5-12-8;/h7-8H,2-5,9H2,1H3,(H,10,11);1H/t7-,8+;/m1./s1
InChIKeyFUCMKSNODHVLNS-WLYNEOFISA-N
MW208.69 g/mol
LogP0.05
Rot. Bonds2

About N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride

N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride (PubChem CID 134283511) has the molecular formula C8H17ClN2O2 and a molecular weight of 208.69 g/mol. Its IUPAC name is N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride
PubChem CID134283511
Molecular FormulaC8H17ClN2O2
Molecular Weight208.69 g/mol
Exact Mass208.10
IUPAC NameN-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride
SMILESCC(=O)NC[C@@H]1CC[C@@H](N)CO1.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-6(11)10-4-8-3-2-7(9)5-12-8;/h7-8H,2-5,9H2,1H3,(H,10,11);1H/t7-,8+;/m1./s1
InChIKeyFUCMKSNODHVLNS-WLYNEOFISA-N
XLogP0.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide
CID 134283041
N-(oxetan-2-ylmethyl)acetamide
CID 166482133
(3R,6S)-6-(methoxymethyl)oxan-3-amine;hydrochloride
CID 89051604
6-(methoxymethyl)oxan-3-amine;hydrochloride
CID 132585345
(3S)-6-(aminomethyl)oxan-3-amine
CID 89349437
2-[(2S,5R)-5-aminooxan-2-yl]ethanol
CID 89051551
(5-hydroxyoxan-2-yl)methylcarbamic acid
CID 138697031
(3S)-6-(2-methyliminoethyl)oxan-3-amine
CID 174328015
N-[[(2R,3R,4S)-4-amino-3-hydroxyoxolan-2-yl]methyl]acetamide
CID 131632145
N-[(5-formyloxolan-2-yl)methyl]acetamide
CID 10942891
N-(1,3-dioxan-5-ylmethyl)acetamide
CID 67192063
N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide
CID 45119594

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride?
The IUPAC name of N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride (CID 134283511) is N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride is CC(=O)NC[C@@H]1CC[C@@H](N)CO1.Cl.
What is the InChIKey of N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride?
The InChIKey is FUCMKSNODHVLNS-WLYNEOFISA-N. The full InChI is InChI=1S/C8H16N2O2.ClH/c1-6(11)10-4-8-3-2-7(9)5-12-8;/h7-8H,2-5,9H2,1H3,(H,10,11);1H/t7-,8+;/m1./s1.
What are the key properties of N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride?
N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 134283511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).