butan-1-amine;2-hydroxybenzoic acid

C11H17NO3 — CID 173067655

IUPACbutan-1-amine;2-hydroxybenzoic acid
SMILESCCCCN.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C4H11N/c8-6-4-2-1-3-5(6)7(9)10;1-2-3-4-5/h1-4,8H,(H,9,10);2-5H2,1H3
InChIKeyOCMAGOGNNGVYST-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.84
Rot. Bonds3

About butan-1-amine;2-hydroxybenzoic acid

butan-1-amine;2-hydroxybenzoic acid (PubChem CID 173067655) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is butan-1-amine;2-hydroxybenzoic acid.

Molecular Properties

Compound Namebutan-1-amine;2-hydroxybenzoic acid
PubChem CID173067655
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namebutan-1-amine;2-hydroxybenzoic acid
SMILESCCCCN.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C4H11N/c8-6-4-2-1-3-5(6)7(9)10;1-2-3-4-5/h1-4,8H,(H,9,10);2-5H2,1H3
InChIKeyOCMAGOGNNGVYST-UHFFFAOYSA-N
XLogP1.84
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

docosane;2-hydroxybenzoic acid
CID 161423500
1-butoxybutane;2-hydroxybenzoic acid
CID 160692059
docosyl 2-hydroxybenzoate;2-hydroxybenzoic acid
CID 67727649
heptan-3-ol;2-hydroxybenzoic acid
CID 158076933
2-hydroxybenzoic acid;octyl nitrite
CID 160599086
decane;phthalic acid
CID 158763790
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;2-hydroxybenzoic acid?
The IUPAC name of butan-1-amine;2-hydroxybenzoic acid (CID 173067655) is butan-1-amine;2-hydroxybenzoic acid.
What is the SMILES notation for butan-1-amine;2-hydroxybenzoic acid?
The canonical SMILES for butan-1-amine;2-hydroxybenzoic acid is CCCCN.O=C(O)c1ccccc1O.
What is the InChIKey of butan-1-amine;2-hydroxybenzoic acid?
The InChIKey is OCMAGOGNNGVYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C4H11N/c8-6-4-2-1-3-5(6)7(9)10;1-2-3-4-5/h1-4,8H,(H,9,10);2-5H2,1H3.
What are the key properties of butan-1-amine;2-hydroxybenzoic acid?
butan-1-amine;2-hydroxybenzoic acid has a molecular weight of 211.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;2-hydroxybenzoic acid is sourced from PubChem (CID 173067655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).