1-aminoethanol;butanoic acid

C6H15NO3 — CID 173051358

IUPAC1-aminoethanol;butanoic acid
SMILESCC(N)O.CCCC(=O)O
InChIInChI=1S/C4H8O2.C2H7NO/c1-2-3-4(5)6;1-2(3)4/h2-3H2,1H3,(H,5,6);2,4H,3H2,1H3
InChIKeyUUJXPWDZKJIGJU-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.15
Rot. Bonds2

About 1-aminoethanol;butanoic acid

1-aminoethanol;butanoic acid (PubChem CID 173051358) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-aminoethanol;butanoic acid.

Molecular Properties

Compound Name1-aminoethanol;butanoic acid
PubChem CID173051358
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name1-aminoethanol;butanoic acid
SMILESCC(N)O.CCCC(=O)O
InChIInChI=1S/C4H8O2.C2H7NO/c1-2-3-4(5)6;1-2(3)4/h2-3H2,1H3,(H,5,6);2,4H,3H2,1H3
InChIKeyUUJXPWDZKJIGJU-UHFFFAOYSA-N
XLogP0.15
TPSA83.55 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 ≤ 50.15
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

butanoic acid;1-methoxyethanamine
CID 174560257
butanoic acid;cyclohexane;propan-2-ol
CID 70428502
butanoic acid;2-methylpropanoic acid
CID 87150327
butanoic acid;3-hydroxybutanoic acid
CID 131984541
dialuminum;butanoic acid
CID 175897781
butanoic acid;heptahydrofluoride
CID 172757824
CID 87408506
CID 87408506
butanoic acid;copper
CID 57425269
butanoic acid;dihydrochloride
CID 173423767
butanoic acid;praseodymium
CID 88777452
azane;butanoic acid
CID 175057491
butanoic acid;mercury
CID 87059277

Frequently Asked Questions

What is the IUPAC name of 1-aminoethanol;butanoic acid?
The IUPAC name of 1-aminoethanol;butanoic acid (CID 173051358) is 1-aminoethanol;butanoic acid.
What is the SMILES notation for 1-aminoethanol;butanoic acid?
The canonical SMILES for 1-aminoethanol;butanoic acid is CC(N)O.CCCC(=O)O.
What is the InChIKey of 1-aminoethanol;butanoic acid?
The InChIKey is UUJXPWDZKJIGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H7NO/c1-2-3-4(5)6;1-2(3)4/h2-3H2,1H3,(H,5,6);2,4H,3H2,1H3.
What are the key properties of 1-aminoethanol;butanoic acid?
1-aminoethanol;butanoic acid has a molecular weight of 149.19 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethanol;butanoic acid is sourced from PubChem (CID 173051358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).