2-(3-aminooxan-3-yl)acetic acid;hydrochloride

C7H14ClNO3 — CID 122163485

IUPAC2-(3-aminooxan-3-yl)acetic acid;hydrochloride
SMILESCl.NC1(CC(=O)O)CCCOC1
InChIInChI=1S/C7H13NO3.ClH/c8-7(4-6(9)10)2-1-3-11-5-7;/h1-5,8H2,(H,9,10);1H
InChIKeyZCTXRSMGFUCGMN-UHFFFAOYSA-N
MW195.65 g/mol
LogP0.39
Rot. Bonds2

About 2-(3-aminooxan-3-yl)acetic acid;hydrochloride

2-(3-aminooxan-3-yl)acetic acid;hydrochloride (PubChem CID 122163485) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(3-aminooxan-3-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-aminooxan-3-yl)acetic acid;hydrochloride
PubChem CID122163485
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name2-(3-aminooxan-3-yl)acetic acid;hydrochloride
SMILESCl.NC1(CC(=O)O)CCCOC1
InChIInChI=1S/C7H13NO3.ClH/c8-7(4-6(9)10)2-1-3-11-5-7;/h1-5,8H2,(H,9,10);1H
InChIKeyZCTXRSMGFUCGMN-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

Analyze 2-(3-aminooxan-3-yl)acetic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminooxan-3-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(3-aminooxan-3-yl)acetic acid;hydrochloride (CID 122163485) is 2-(3-aminooxan-3-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3-aminooxan-3-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(3-aminooxan-3-yl)acetic acid;hydrochloride is Cl.NC1(CC(=O)O)CCCOC1.
What is the InChIKey of 2-(3-aminooxan-3-yl)acetic acid;hydrochloride?
The InChIKey is ZCTXRSMGFUCGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c8-7(4-6(9)10)2-1-3-11-5-7;/h1-5,8H2,(H,9,10);1H.
What are the key properties of 2-(3-aminooxan-3-yl)acetic acid;hydrochloride?
2-(3-aminooxan-3-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-(3-aminooxan-3-yl)acetic acid;hydrochloride is sourced from PubChem (CID 122163485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).