2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride

C8H16ClNO3 — CID 45260303

IUPAC2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride
SMILESCl.NCC1(CC(=O)O)CCOCC1
InChIInChI=1S/C8H15NO3.ClH/c9-6-8(5-7(10)11)1-3-12-4-2-8;/h1-6,9H2,(H,10,11);1H
InChIKeyWZJYJASPTUKLMF-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.64
Rot. Bonds3

About 2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride

2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride (PubChem CID 45260303) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is 2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride
PubChem CID45260303
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Name2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride
SMILESCl.NCC1(CC(=O)O)CCOCC1
InChIInChI=1S/C8H15NO3.ClH/c9-6-8(5-7(10)11)1-3-12-4-2-8;/h1-6,9H2,(H,10,11);1H
InChIKeyWZJYJASPTUKLMF-UHFFFAOYSA-N
XLogP0.64
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(aminomethyl)oxan-4-yl]propanoic acid
CID 164936561
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
sodium;2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrate
CID 18668043
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid
CID 10776157
2-[1-(aminomethyl)-3,3,4,4-tetradeuteriocyclohexyl]acetic acid
CID 25217867
2-[4-(2-methylpropyl)oxan-4-yl]acetic acid
CID 83819264
2-[1-(aminomethyl)-4-propylcyclohexyl]acetic acid;hydrochloride
CID 142651659
2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid;ethane
CID 145459260
2-[1-(aminomethyl)cyclohexyl]acetic acid;heptane
CID 19361922
sodium;tetrakis(2-[1-(aminomethyl)cyclohexyl]acetic acid);hydride;sulfuric acid;hydrate
CID 173180921
2-[3-(aminomethyl)thiolan-3-yl]acetic acid
CID 66098933
4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride (CID 45260303) is 2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride is Cl.NCC1(CC(=O)O)CCOCC1.
What is the InChIKey of 2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride?
The InChIKey is WZJYJASPTUKLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c9-6-8(5-7(10)11)1-3-12-4-2-8;/h1-6,9H2,(H,10,11);1H.
What are the key properties of 2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride?
2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride is sourced from PubChem (CID 45260303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).