2-[bis(trideuteriomethyl)amino]acetic acid;hydrochloride

C4H10ClNO2 — CID 71308968

IUPAC2-[bis(trideuteriomethyl)amino]acetic acid;hydrochloride
SMILESCl.[2H]C([2H])([2H])N(CC(=O)O)C([2H])([2H])[2H]
InChIInChI=1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H/i1D3,2D3;
InChIKeyFKASAVXZZLJTNX-TXHXQZCNSA-N
MW145.62 g/mol
LogP0.05
Rot. Bonds4

About 2-[bis(trideuteriomethyl)amino]acetic acid;hydrochloride

2-[bis(trideuteriomethyl)amino]acetic acid;hydrochloride (PubChem CID 71308968) has the molecular formula C4H10ClNO2 and a molecular weight of 145.62 g/mol. Its IUPAC name is 2-[bis(trideuteriomethyl)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[bis(trideuteriomethyl)amino]acetic acid;hydrochloride
PubChem CID71308968
Molecular FormulaC4H10ClNO2
Molecular Weight145.62 g/mol
Exact Mass145.08
IUPAC Name2-[bis(trideuteriomethyl)amino]acetic acid;hydrochloride
SMILESCl.[2H]C([2H])([2H])N(CC(=O)O)C([2H])([2H])[2H]
InChIInChI=1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H/i1D3,2D3;
InChIKeyFKASAVXZZLJTNX-TXHXQZCNSA-N
XLogP0.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.62
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(trideuteriomethyl)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[bis(trideuteriomethyl)amino]acetic acid;hydrochloride (CID 71308968) is 2-[bis(trideuteriomethyl)amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[bis(trideuteriomethyl)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[bis(trideuteriomethyl)amino]acetic acid;hydrochloride is Cl.[2H]C([2H])([2H])N(CC(=O)O)C([2H])([2H])[2H].
What is the InChIKey of 2-[bis(trideuteriomethyl)amino]acetic acid;hydrochloride?
The InChIKey is FKASAVXZZLJTNX-TXHXQZCNSA-N. The full InChI is InChI=1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H/i1D3,2D3;.
What are the key properties of 2-[bis(trideuteriomethyl)amino]acetic acid;hydrochloride?
2-[bis(trideuteriomethyl)amino]acetic acid;hydrochloride has a molecular weight of 145.62 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(trideuteriomethyl)amino]acetic acid;hydrochloride is sourced from PubChem (CID 71308968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).