2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol

C6H15NO5 — CID 173051150

IUPAC2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol
SMILESCC(O)NC(C)O.O=C(O)CO
InChIInChI=1S/C4H11NO2.C2H4O3/c1-3(6)5-4(2)7;3-1-2(4)5/h3-7H,1-2H3;3H,1H2,(H,4,5)
InChIKeyAMFHYIQZNISOQK-UHFFFAOYSA-N
MW181.19 g/mol
LogP-1.68
Rot. Bonds3

About 2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol

2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol (PubChem CID 173051150) has the molecular formula C6H15NO5 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol
PubChem CID173051150
Molecular FormulaC6H15NO5
Molecular Weight181.19 g/mol
Exact Mass181.10
IUPAC Name2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol
SMILESCC(O)NC(C)O.O=C(O)CO
InChIInChI=1S/C4H11NO2.C2H4O3/c1-3(6)5-4(2)7;3-1-2(4)5/h3-7H,1-2H3;3H,1H2,(H,4,5)
InChIKeyAMFHYIQZNISOQK-UHFFFAOYSA-N
XLogP-1.68
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-1.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hexanedioic acid;1-(1-hydroxyethylamino)ethanol
CID 87300417
2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine
CID 13231155
(1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol
CID 93481820
1-(1-hydroxyethylamino)ethanol
CID 18183743
2,3-dihydroxybutanedioic acid;1-(1-hydroxyethylamino)ethanol
CID 173051476
1-(1-hydroxyethylamino)ethanol;hydrochloride
CID 57449436
1-(1-hydroxyethylamino)ethanol;hydrobromide
CID 173051488
1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid)
CID 160783173
1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid
CID 173188984
N,N-dimethylmethanamine;formic acid;2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine
CID 173098750
tetrakis(2-hydroxyacetic acid);silane
CID 173225780
CID 88684247
CID 88684247

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol?
The IUPAC name of 2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol (CID 173051150) is 2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol.
What is the SMILES notation for 2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol?
The canonical SMILES for 2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol is CC(O)NC(C)O.O=C(O)CO.
What is the InChIKey of 2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol?
The InChIKey is AMFHYIQZNISOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C2H4O3/c1-3(6)5-4(2)7;3-1-2(4)5/h3-7H,1-2H3;3H,1H2,(H,4,5).
What are the key properties of 2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol?
2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol has a molecular weight of 181.19 g/mol, XLogP of -1.68, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol is sourced from PubChem (CID 173051150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).