acetic acid;2-(2,2-dihydroxyethylamino)acetic acid

C8H17NO8 — CID 175208763

IUPACacetic acid;2-(2,2-dihydroxyethylamino)acetic acid
SMILESCC(=O)O.CC(=O)O.O=C(O)CNCC(O)O
InChIInChI=1S/C4H9NO4.2C2H4O2/c6-3(7)1-5-2-4(8)9;2*1-2(3)4/h3,5-7H,1-2H2,(H,8,9);2*1H3,(H,3,4)
InChIKeyONUAJOVTCKOHCV-UHFFFAOYSA-N
MW255.22 g/mol
LogP-1.85
Rot. Bonds4

About acetic acid;2-(2,2-dihydroxyethylamino)acetic acid

acetic acid;2-(2,2-dihydroxyethylamino)acetic acid (PubChem CID 175208763) has the molecular formula C8H17NO8 and a molecular weight of 255.22 g/mol. Its IUPAC name is acetic acid;2-(2,2-dihydroxyethylamino)acetic acid.

Molecular Properties

Compound Nameacetic acid;2-(2,2-dihydroxyethylamino)acetic acid
PubChem CID175208763
Molecular FormulaC8H17NO8
Molecular Weight255.22 g/mol
Exact Mass255.10
IUPAC Nameacetic acid;2-(2,2-dihydroxyethylamino)acetic acid
SMILESCC(=O)O.CC(=O)O.O=C(O)CNCC(O)O
InChIInChI=1S/C4H9NO4.2C2H4O2/c6-3(7)1-5-2-4(8)9;2*1-2(3)4/h3,5-7H,1-2H2,(H,8,9);2*1H3,(H,3,4)
InChIKeyONUAJOVTCKOHCV-UHFFFAOYSA-N
XLogP-1.85
TPSA164.39 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.22
LogP ≤ 5-1.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze acetic acid;2-(2,2-dihydroxyethylamino)acetic acid 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

disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate
CID 158196840
2-[(2,2-dihydroxyethylamino)methyl]prop-2-enoic acid
CID 56997696
2-(carboxymethylamino)acetic acid
CID 8897
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid
CID 63989473
2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid
CID 139446842
2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid
CID 63296306
2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid
CID 82314595
2-(carboxymethylamino)acetic acid;cobalt
CID 87306494
2,3-bis(carboxymethylamino)propanoic acid
CID 10922022
sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718
acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid
CID 53400535
acetic acid;2-(methylamino)acetic acid;hydrochloride
CID 175814276

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(2,2-dihydroxyethylamino)acetic acid?
The IUPAC name of acetic acid;2-(2,2-dihydroxyethylamino)acetic acid (CID 175208763) is acetic acid;2-(2,2-dihydroxyethylamino)acetic acid.
What is the SMILES notation for acetic acid;2-(2,2-dihydroxyethylamino)acetic acid?
The canonical SMILES for acetic acid;2-(2,2-dihydroxyethylamino)acetic acid is CC(=O)O.CC(=O)O.O=C(O)CNCC(O)O.
What is the InChIKey of acetic acid;2-(2,2-dihydroxyethylamino)acetic acid?
The InChIKey is ONUAJOVTCKOHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4.2C2H4O2/c6-3(7)1-5-2-4(8)9;2*1-2(3)4/h3,5-7H,1-2H2,(H,8,9);2*1H3,(H,3,4).
What are the key properties of acetic acid;2-(2,2-dihydroxyethylamino)acetic acid?
acetic acid;2-(2,2-dihydroxyethylamino)acetic acid has a molecular weight of 255.22 g/mol, XLogP of -1.85, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(2,2-dihydroxyethylamino)acetic acid is sourced from PubChem (CID 175208763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).