2-(dimethoxyamino)acetic acid

C4H9NO4 — CID 156905250

IUPAC2-(dimethoxyamino)acetic acid
SMILESCON(CC(=O)O)OC
InChIInChI=1S/C4H9NO4/c1-8-5(9-2)3-4(6)7/h3H2,1-2H3,(H,6,7)
InChIKeyUGNDXSGINRHORS-UHFFFAOYSA-N
MW135.12 g/mol
LogP-0.50
Rot. Bonds4

About 2-(dimethoxyamino)acetic acid

2-(dimethoxyamino)acetic acid (PubChem CID 156905250) has the molecular formula C4H9NO4 and a molecular weight of 135.12 g/mol. Its IUPAC name is 2-(dimethoxyamino)acetic acid.

Molecular Properties

Compound Name2-(dimethoxyamino)acetic acid
PubChem CID156905250
Molecular FormulaC4H9NO4
Molecular Weight135.12 g/mol
Exact Mass135.05
IUPAC Name2-(dimethoxyamino)acetic acid
SMILESCON(CC(=O)O)OC
InChIInChI=1S/C4H9NO4/c1-8-5(9-2)3-4(6)7/h3H2,1-2H3,(H,6,7)
InChIKeyUGNDXSGINRHORS-UHFFFAOYSA-N
XLogP-0.50
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(methoxy)amino]acetic acid
CID 87131030
2-[carbamoyl(methoxy)amino]acetic acid
CID 55288680
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
azane;2-(dimethylamino)acetic acid
CID 172828475
benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 158824868
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
2-[(2-methoxyacetyl)-methylamino]acetic acid
CID 16777253
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403
2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane
CID 153337415
2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxyamino)acetic acid?
The IUPAC name of 2-(dimethoxyamino)acetic acid (CID 156905250) is 2-(dimethoxyamino)acetic acid.
What is the SMILES notation for 2-(dimethoxyamino)acetic acid?
The canonical SMILES for 2-(dimethoxyamino)acetic acid is CON(CC(=O)O)OC.
What is the InChIKey of 2-(dimethoxyamino)acetic acid?
The InChIKey is UGNDXSGINRHORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4/c1-8-5(9-2)3-4(6)7/h3H2,1-2H3,(H,6,7).
What are the key properties of 2-(dimethoxyamino)acetic acid?
2-(dimethoxyamino)acetic acid has a molecular weight of 135.12 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxyamino)acetic acid is sourced from PubChem (CID 156905250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).