butanoic acid;1-methoxyethanamine

C7H17NO3 — CID 174560257

IUPACbutanoic acid;1-methoxyethanamine
SMILESCCCC(=O)O.COC(C)N
InChIInChI=1S/C4H8O2.C3H9NO/c1-2-3-4(5)6;1-3(4)5-2/h2-3H2,1H3,(H,5,6);3H,4H2,1-2H3
InChIKeyVSHZPMNAMRCYED-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.81
Rot. Bonds3

About butanoic acid;1-methoxyethanamine

butanoic acid;1-methoxyethanamine (PubChem CID 174560257) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is butanoic acid;1-methoxyethanamine.

Molecular Properties

Compound Namebutanoic acid;1-methoxyethanamine
PubChem CID174560257
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Namebutanoic acid;1-methoxyethanamine
SMILESCCCC(=O)O.COC(C)N
InChIInChI=1S/C4H8O2.C3H9NO/c1-2-3-4(5)6;1-3(4)5-2/h2-3H2,1H3,(H,5,6);3H,4H2,1-2H3
InChIKeyVSHZPMNAMRCYED-UHFFFAOYSA-N
XLogP0.81
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
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

1-aminoethanol;butanoic acid
CID 173051358
butanoic acid;2-methylpropanoic acid
CID 87150327
butanoic acid;methanol;methyl carbamate
CID 144878014
CID 88693438
CID 88693438
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 butanoic acid;1-methoxyethanamine?
The IUPAC name of butanoic acid;1-methoxyethanamine (CID 174560257) is butanoic acid;1-methoxyethanamine.
What is the SMILES notation for butanoic acid;1-methoxyethanamine?
The canonical SMILES for butanoic acid;1-methoxyethanamine is CCCC(=O)O.COC(C)N.
What is the InChIKey of butanoic acid;1-methoxyethanamine?
The InChIKey is VSHZPMNAMRCYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H9NO/c1-2-3-4(5)6;1-3(4)5-2/h2-3H2,1H3,(H,5,6);3H,4H2,1-2H3.
What are the key properties of butanoic acid;1-methoxyethanamine?
butanoic acid;1-methoxyethanamine has a molecular weight of 163.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;1-methoxyethanamine is sourced from PubChem (CID 174560257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).