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

C4H12ClN3O2 — CID 158852390

IUPAC2-[bis(methylamino)amino]acetic acid;hydrochloride
SMILESCNN(CC(=O)O)NC.Cl
InChIInChI=1S/C4H11N3O2.ClH/c1-5-7(6-2)3-4(8)9;/h5-6H,3H2,1-2H3,(H,8,9);1H
InChIKeyIZPVTHSRNYJKBR-UHFFFAOYSA-N
MW169.61 g/mol
LogP-0.94
Rot. Bonds4

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

2-[bis(methylamino)amino]acetic acid;hydrochloride (PubChem CID 158852390) has the molecular formula C4H12ClN3O2 and a molecular weight of 169.61 g/mol. Its IUPAC name is 2-[bis(methylamino)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[bis(methylamino)amino]acetic acid;hydrochloride
PubChem CID158852390
Molecular FormulaC4H12ClN3O2
Molecular Weight169.61 g/mol
Exact Mass169.06
IUPAC Name2-[bis(methylamino)amino]acetic acid;hydrochloride
SMILESCNN(CC(=O)O)NC.Cl
InChIInChI=1S/C4H11N3O2.ClH/c1-5-7(6-2)3-4(8)9;/h5-6H,3H2,1-2H3,(H,8,9);1H
InChIKeyIZPVTHSRNYJKBR-UHFFFAOYSA-N
XLogP-0.94
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[bis(methylamino)amino]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

propanoic acid;1,1,2-trimethylhydrazine
CID 90201241
2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid
CID 15678371
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
azane;2-(dimethylamino)acetic acid
CID 172828475
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
2-[methyl(methylcarbamothioyl)amino]acetic acid
CID 14685968
2-[bis(carboxymethyl)amino]-2-(methylamino)acetic acid
CID 88607946
2-[formyl(methyl)amino]acetic acid;hydrochloride
CID 141101166
2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 63646159
CID 160559897
CID 160559897
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380

Frequently Asked Questions

What is the IUPAC name of 2-[bis(methylamino)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[bis(methylamino)amino]acetic acid;hydrochloride (CID 158852390) is 2-[bis(methylamino)amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[bis(methylamino)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[bis(methylamino)amino]acetic acid;hydrochloride is CNN(CC(=O)O)NC.Cl.
What is the InChIKey of 2-[bis(methylamino)amino]acetic acid;hydrochloride?
The InChIKey is IZPVTHSRNYJKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O2.ClH/c1-5-7(6-2)3-4(8)9;/h5-6H,3H2,1-2H3,(H,8,9);1H.
What are the key properties of 2-[bis(methylamino)amino]acetic acid;hydrochloride?
2-[bis(methylamino)amino]acetic acid;hydrochloride has a molecular weight of 169.61 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(methylamino)amino]acetic acid;hydrochloride is sourced from PubChem (CID 158852390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).