acetic acid;2-(methylamino)acetic acid;hydrochloride

C5H12ClNO4 — CID 175814276

IUPACacetic acid;2-(methylamino)acetic acid;hydrochloride
SMILESCC(=O)O.CNCC(=O)O.Cl
InChIInChI=1S/C3H7NO2.C2H4O2.ClH/c1-4-2-3(5)6;1-2(3)4;/h4H,2H2,1H3,(H,5,6);1H3,(H,3,4);1H
InChIKeyUEVCLNJTUXFGQV-UHFFFAOYSA-N
MW185.61 g/mol
LogP-0.20
Rot. Bonds2

About acetic acid;2-(methylamino)acetic acid;hydrochloride

acetic acid;2-(methylamino)acetic acid;hydrochloride (PubChem CID 175814276) has the molecular formula C5H12ClNO4 and a molecular weight of 185.61 g/mol. Its IUPAC name is acetic acid;2-(methylamino)acetic acid;hydrochloride.

Molecular Properties

Compound Nameacetic acid;2-(methylamino)acetic acid;hydrochloride
PubChem CID175814276
Molecular FormulaC5H12ClNO4
Molecular Weight185.61 g/mol
Exact Mass185.05
IUPAC Nameacetic acid;2-(methylamino)acetic acid;hydrochloride
SMILESCC(=O)O.CNCC(=O)O.Cl
InChIInChI=1S/C3H7NO2.C2H4O2.ClH/c1-4-2-3(5)6;1-2(3)4;/h4H,2H2,1H3,(H,5,6);1H3,(H,3,4);1H
InChIKeyUEVCLNJTUXFGQV-UHFFFAOYSA-N
XLogP-0.20
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze acetic acid;2-(methylamino)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

Related Compounds

tripotassium;hydride;2-(methylamino)acetic acid
CID 174232708
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid
CID 23451902
ethane;2-(methylamino)acetic acid;methyl formate
CID 144537769
disodium;acetic acid;2-(methylamino)acetate;acetate
CID 173189557
2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane
CID 145362143
tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid
CID 165001010
sodium;dodecane;2-(methylamino)acetic acid
CID 174330341
2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid
CID 175782236
2-(methylamino)acetic acid;2-methylphenol
CID 67651337
potassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;2-(methylamino)acetic acid
CID 87238966
acetamide;2-acetamidoacetic acid;acetic acid
CID 172851562
acetic acid;tin(2+);dichloride
CID 163897744

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(methylamino)acetic acid;hydrochloride?
The IUPAC name of acetic acid;2-(methylamino)acetic acid;hydrochloride (CID 175814276) is acetic acid;2-(methylamino)acetic acid;hydrochloride.
What is the SMILES notation for acetic acid;2-(methylamino)acetic acid;hydrochloride?
The canonical SMILES for acetic acid;2-(methylamino)acetic acid;hydrochloride is CC(=O)O.CNCC(=O)O.Cl.
What is the InChIKey of acetic acid;2-(methylamino)acetic acid;hydrochloride?
The InChIKey is UEVCLNJTUXFGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.C2H4O2.ClH/c1-4-2-3(5)6;1-2(3)4;/h4H,2H2,1H3,(H,5,6);1H3,(H,3,4);1H.
What are the key properties of acetic acid;2-(methylamino)acetic acid;hydrochloride?
acetic acid;2-(methylamino)acetic acid;hydrochloride has a molecular weight of 185.61 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(methylamino)acetic acid;hydrochloride is sourced from PubChem (CID 175814276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).