2-(aminomethyl)oxolane-2-carboxylic acid;hydrochloride

C6H12ClNO3 — CID 146155429

IUPAC2-(aminomethyl)oxolane-2-carboxylic acid;hydrochloride
SMILESCl.NCC1(C(=O)O)CCCO1
InChIInChI=1S/C6H11NO3.ClH/c7-4-6(5(8)9)2-1-3-10-6;/h1-4,7H2,(H,8,9);1H
InChIKeyLRIOTPGAPYUEMA-UHFFFAOYSA-N
MW181.62 g/mol
LogP0.00
Rot. Bonds2

About 2-(aminomethyl)oxolane-2-carboxylic acid;hydrochloride

2-(aminomethyl)oxolane-2-carboxylic acid;hydrochloride (PubChem CID 146155429) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is 2-(aminomethyl)oxolane-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)oxolane-2-carboxylic acid;hydrochloride
PubChem CID146155429
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Name2-(aminomethyl)oxolane-2-carboxylic acid;hydrochloride
SMILESCl.NCC1(C(=O)O)CCCO1
InChIInChI=1S/C6H11NO3.ClH/c7-4-6(5(8)9)2-1-3-10-6;/h1-4,7H2,(H,8,9);1H
InChIKeyLRIOTPGAPYUEMA-UHFFFAOYSA-N
XLogP0.00
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)oxolane-2-carboxylic acid;hydrochloride?
The IUPAC name of 2-(aminomethyl)oxolane-2-carboxylic acid;hydrochloride (CID 146155429) is 2-(aminomethyl)oxolane-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)oxolane-2-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(aminomethyl)oxolane-2-carboxylic acid;hydrochloride is Cl.NCC1(C(=O)O)CCCO1.
What is the InChIKey of 2-(aminomethyl)oxolane-2-carboxylic acid;hydrochloride?
The InChIKey is LRIOTPGAPYUEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c7-4-6(5(8)9)2-1-3-10-6;/h1-4,7H2,(H,8,9);1H.
What are the key properties of 2-(aminomethyl)oxolane-2-carboxylic acid;hydrochloride?
2-(aminomethyl)oxolane-2-carboxylic acid;hydrochloride has a molecular weight of 181.62 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)oxolane-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 146155429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).