1-(methylamino)ethanol;propanoic acid

C6H15NO3 — CID 173051443

IUPAC1-(methylamino)ethanol;propanoic acid
SMILESCCC(=O)O.CNC(C)O
InChIInChI=1S/C3H9NO.C3H6O2/c1-3(5)4-2;1-2-3(4)5/h3-5H,1-2H3;2H2,1H3,(H,4,5)
InChIKeyOGDQIQBBQZIDNI-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.03
Rot. Bonds2

About 1-(methylamino)ethanol;propanoic acid

1-(methylamino)ethanol;propanoic acid (PubChem CID 173051443) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(methylamino)ethanol;propanoic acid.

Molecular Properties

Compound Name1-(methylamino)ethanol;propanoic acid
PubChem CID173051443
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name1-(methylamino)ethanol;propanoic acid
SMILESCCC(=O)O.CNC(C)O
InChIInChI=1S/C3H9NO.C3H6O2/c1-3(5)4-2;1-2-3(4)5/h3-5H,1-2H3;2H2,1H3,(H,4,5)
InChIKeyOGDQIQBBQZIDNI-UHFFFAOYSA-N
XLogP0.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptanedioic acid;1-(methylamino)ethanol
CID 174510422
hexanoic acid;1-(methylamino)ethanol
CID 173051508
2-hydroxypropanoic acid;propanoic acid
CID 175004384
2-hydroxypropanoic acid;propanedioic acid;propanoic acid
CID 172861837
azane;propane-1,2-diol;propanoic acid
CID 175501884
propanoic acid;hydrate
CID 57432895
propanoic acid;yttrium
CID 59015039
CID 87066971
CID 87066971
propanoic acid;dihydrobromide
CID 140795083
mercury(2+);propanoic acid
CID 23623813
alumane;propanoic acid
CID 173234599
nickel;propanoic acid
CID 54601332

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)ethanol;propanoic acid?
The IUPAC name of 1-(methylamino)ethanol;propanoic acid (CID 173051443) is 1-(methylamino)ethanol;propanoic acid.
What is the SMILES notation for 1-(methylamino)ethanol;propanoic acid?
The canonical SMILES for 1-(methylamino)ethanol;propanoic acid is CCC(=O)O.CNC(C)O.
What is the InChIKey of 1-(methylamino)ethanol;propanoic acid?
The InChIKey is OGDQIQBBQZIDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C3H6O2/c1-3(5)4-2;1-2-3(4)5/h3-5H,1-2H3;2H2,1H3,(H,4,5).
What are the key properties of 1-(methylamino)ethanol;propanoic acid?
1-(methylamino)ethanol;propanoic acid has a molecular weight of 149.19 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)ethanol;propanoic acid is sourced from PubChem (CID 173051443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).