4-amino-2-methyloxane-4-carboxylic acid;hydrochloride

C7H14ClNO3 — CID 67993594

IUPAC4-amino-2-methyloxane-4-carboxylic acid;hydrochloride
SMILESCC1CC(N)(C(=O)O)CCO1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-5-4-7(8,6(9)10)2-3-11-5;/h5H,2-4,8H2,1H3,(H,9,10);1H
InChIKeyAGOXWSSAWCLCTQ-UHFFFAOYSA-N
MW195.65 g/mol
LogP0.39
Rot. Bonds1

About 4-amino-2-methyloxane-4-carboxylic acid;hydrochloride

4-amino-2-methyloxane-4-carboxylic acid;hydrochloride (PubChem CID 67993594) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 4-amino-2-methyloxane-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-2-methyloxane-4-carboxylic acid;hydrochloride
PubChem CID67993594
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name4-amino-2-methyloxane-4-carboxylic acid;hydrochloride
SMILESCC1CC(N)(C(=O)O)CCO1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-5-4-7(8,6(9)10)2-3-11-5;/h5H,2-4,8H2,1H3,(H,9,10);1H
InChIKeyAGOXWSSAWCLCTQ-UHFFFAOYSA-N
XLogP0.39
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyloxane-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-amino-2-methyloxane-4-carboxylic acid;hydrochloride (CID 67993594) is 4-amino-2-methyloxane-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-amino-2-methyloxane-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-amino-2-methyloxane-4-carboxylic acid;hydrochloride is CC1CC(N)(C(=O)O)CCO1.Cl.
What is the InChIKey of 4-amino-2-methyloxane-4-carboxylic acid;hydrochloride?
The InChIKey is AGOXWSSAWCLCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-5-4-7(8,6(9)10)2-3-11-5;/h5H,2-4,8H2,1H3,(H,9,10);1H.
What are the key properties of 4-amino-2-methyloxane-4-carboxylic acid;hydrochloride?
4-amino-2-methyloxane-4-carboxylic acid;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyloxane-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 67993594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).