2-(4-aminooxan-2-yl)acetic acid;hydrochloride

C7H14ClNO3 — CID 154856623

IUPAC2-(4-aminooxan-2-yl)acetic acid;hydrochloride
SMILESCl.NC1CCOC(CC(=O)O)C1
InChIInChI=1S/C7H13NO3.ClH/c8-5-1-2-11-6(3-5)4-7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H
InChIKeyORIMSNKHMPRFHK-UHFFFAOYSA-N
MW195.65 g/mol
LogP0.39
Rot. Bonds2

About 2-(4-aminooxan-2-yl)acetic acid;hydrochloride

2-(4-aminooxan-2-yl)acetic acid;hydrochloride (PubChem CID 154856623) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(4-aminooxan-2-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(4-aminooxan-2-yl)acetic acid;hydrochloride
PubChem CID154856623
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name2-(4-aminooxan-2-yl)acetic acid;hydrochloride
SMILESCl.NC1CCOC(CC(=O)O)C1
InChIInChI=1S/C7H13NO3.ClH/c8-5-1-2-11-6(3-5)4-7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H
InChIKeyORIMSNKHMPRFHK-UHFFFAOYSA-N
XLogP0.39
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S,4S)-2-aminooxan-4-yl]acetic acid
CID 129391535
[(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride
CID 170902129
[(2S,4S)-4-aminooxan-2-yl]methanol
CID 121305944
2-[(1R,3R)-3-aminocyclopentyl]acetic acid;hydrochloride
CID 170154863
2-[(2S,4S)-2-ethyloxan-4-yl]acetic acid
CID 95335801
2-[4-(trifluoromethyl)oxan-2-yl]acetic acid
CID 164905433
2-(aminomethyl)oxan-4-amine
CID 121396437
(2R,4R)-2-ethyloxan-4-amine
CID 82651052
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
2-[4-(propan-2-ylamino)oxan-2-yl]acetic acid
CID 143247679
2-(4-amino-6-methyloxan-2-yl)acetic acid
CID 143247678
2-[(2S,4S)-2-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid
CID 151991789

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminooxan-2-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(4-aminooxan-2-yl)acetic acid;hydrochloride (CID 154856623) is 2-(4-aminooxan-2-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(4-aminooxan-2-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(4-aminooxan-2-yl)acetic acid;hydrochloride is Cl.NC1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-(4-aminooxan-2-yl)acetic acid;hydrochloride?
The InChIKey is ORIMSNKHMPRFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c8-5-1-2-11-6(3-5)4-7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H.
What are the key properties of 2-(4-aminooxan-2-yl)acetic acid;hydrochloride?
2-(4-aminooxan-2-yl)acetic acid;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminooxan-2-yl)acetic acid;hydrochloride is sourced from PubChem (CID 154856623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).