1-(dimethylamino)ethanol;2-hydroxypropanoic acid

C7H17NO4 — CID 21124980

IUPAC1-(dimethylamino)ethanol;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CC(O)N(C)C
InChIInChI=1S/C4H11NO.C3H6O3/c1-4(6)5(2)3;1-2(4)3(5)6/h4,6H,1-3H3;2,4H,1H3,(H,5,6)
InChIKeyYNBJNZYXRDFAKU-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.66
Rot. Bonds2

About 1-(dimethylamino)ethanol;2-hydroxypropanoic acid

1-(dimethylamino)ethanol;2-hydroxypropanoic acid (PubChem CID 21124980) has the molecular formula C7H17NO4 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(dimethylamino)ethanol;2-hydroxypropanoic acid.

Molecular Properties

Compound Name1-(dimethylamino)ethanol;2-hydroxypropanoic acid
PubChem CID21124980
Molecular FormulaC7H17NO4
Molecular Weight179.22 g/mol
Exact Mass179.12
IUPAC Name1-(dimethylamino)ethanol;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CC(O)N(C)C
InChIInChI=1S/C4H11NO.C3H6O3/c1-4(6)5(2)3;1-2(4)3(5)6/h4,6H,1-3H3;2,4H,1H3,(H,5,6)
InChIKeyYNBJNZYXRDFAKU-UHFFFAOYSA-N
XLogP-0.66
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;2-hydroxypropanoic acid
CID 173198650
2-hydroxypropanoic acid
CID 87075455
bis(2-hydroxypropanoic acid);titanium
CID 173417954
CID 131877347
CID 131877347
2-hydroxypropanoic acid;mercury
CID 88512020
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
CID 123133976
CID 123133976
CID 11776805
CID 11776805
tetrakis(2-hydroxypropanoic acid);manganese
CID 167442579
CID 129137181
CID 129137181
2-hydroxypropanoic acid;tetrahydrate
CID 141343914
pentaheptacontacalcium;(2-hydroxypropanoic acid)
CID 173046474

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethanol;2-hydroxypropanoic acid?
The IUPAC name of 1-(dimethylamino)ethanol;2-hydroxypropanoic acid (CID 21124980) is 1-(dimethylamino)ethanol;2-hydroxypropanoic acid.
What is the SMILES notation for 1-(dimethylamino)ethanol;2-hydroxypropanoic acid?
The canonical SMILES for 1-(dimethylamino)ethanol;2-hydroxypropanoic acid is CC(O)C(=O)O.CC(O)N(C)C.
What is the InChIKey of 1-(dimethylamino)ethanol;2-hydroxypropanoic acid?
The InChIKey is YNBJNZYXRDFAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C3H6O3/c1-4(6)5(2)3;1-2(4)3(5)6/h4,6H,1-3H3;2,4H,1H3,(H,5,6).
What are the key properties of 1-(dimethylamino)ethanol;2-hydroxypropanoic acid?
1-(dimethylamino)ethanol;2-hydroxypropanoic acid has a molecular weight of 179.22 g/mol, XLogP of -0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethanol;2-hydroxypropanoic acid is sourced from PubChem (CID 21124980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).