acetic acid;ethyl 2-aminoacetate;hydrochloride

C6H14ClNO4 — CID 172784195

IUPACacetic acid;ethyl 2-aminoacetate;hydrochloride
SMILESCC(=O)O.CCOC(=O)CN.Cl
InChIInChI=1S/C4H9NO2.C2H4O2.ClH/c1-2-7-4(6)3-5;1-2(3)4;/h2-3,5H2,1H3;1H3,(H,3,4);1H
InChIKeyOQVBTOHPGYKRAR-UHFFFAOYSA-N
MW199.63 g/mol
LogP0.02
Rot. Bonds2

About acetic acid;ethyl 2-aminoacetate;hydrochloride

acetic acid;ethyl 2-aminoacetate;hydrochloride (PubChem CID 172784195) has the molecular formula C6H14ClNO4 and a molecular weight of 199.63 g/mol. Its IUPAC name is acetic acid;ethyl 2-aminoacetate;hydrochloride.

Molecular Properties

Compound Nameacetic acid;ethyl 2-aminoacetate;hydrochloride
PubChem CID172784195
Molecular FormulaC6H14ClNO4
Molecular Weight199.63 g/mol
Exact Mass199.06
IUPAC Nameacetic acid;ethyl 2-aminoacetate;hydrochloride
SMILESCC(=O)O.CCOC(=O)CN.Cl
InChIInChI=1S/C4H9NO2.C2H4O2.ClH/c1-2-7-4(6)3-5;1-2(3)4;/h2-3,5H2,1H3;1H3,(H,3,4);1H
InChIKeyOQVBTOHPGYKRAR-UHFFFAOYSA-N
XLogP0.02
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.63
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;ethyl 2-aminoacetate;hydrochloride?
The IUPAC name of acetic acid;ethyl 2-aminoacetate;hydrochloride (CID 172784195) is acetic acid;ethyl 2-aminoacetate;hydrochloride.
What is the SMILES notation for acetic acid;ethyl 2-aminoacetate;hydrochloride?
The canonical SMILES for acetic acid;ethyl 2-aminoacetate;hydrochloride is CC(=O)O.CCOC(=O)CN.Cl.
What is the InChIKey of acetic acid;ethyl 2-aminoacetate;hydrochloride?
The InChIKey is OQVBTOHPGYKRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C2H4O2.ClH/c1-2-7-4(6)3-5;1-2(3)4;/h2-3,5H2,1H3;1H3,(H,3,4);1H.
What are the key properties of acetic acid;ethyl 2-aminoacetate;hydrochloride?
acetic acid;ethyl 2-aminoacetate;hydrochloride has a molecular weight of 199.63 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethyl 2-aminoacetate;hydrochloride is sourced from PubChem (CID 172784195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).