butanoic acid;1H-indole;propanoic acid

C15H21NO4 — CID 135353070

IUPACbutanoic acid;1H-indole;propanoic acid
SMILESCCC(=O)O.CCCC(=O)O.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C4H8O2.C3H6O2/c1-2-4-8-7(3-1)5-6-9-8;1-2-3-4(5)6;1-2-3(4)5/h1-6,9H;2-3H2,1H3,(H,5,6);2H2,1H3,(H,4,5)
InChIKeySZANGMXXCWTQPQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.52
Rot. Bonds3

About butanoic acid;1H-indole;propanoic acid

butanoic acid;1H-indole;propanoic acid (PubChem CID 135353070) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is butanoic acid;1H-indole;propanoic acid.

Molecular Properties

Compound Namebutanoic acid;1H-indole;propanoic acid
PubChem CID135353070
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namebutanoic acid;1H-indole;propanoic acid
SMILESCCC(=O)O.CCCC(=O)O.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C4H8O2.C3H6O2/c1-2-4-8-7(3-1)5-6-9-8;1-2-3-4(5)6;1-2-3(4)5/h1-6,9H;2-3H2,1H3,(H,5,6);2H2,1H3,(H,4,5)
InChIKeySZANGMXXCWTQPQ-UHFFFAOYSA-N
XLogP3.52
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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carbamic acid;1H-indole
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bis(1H-indole);methanol
CID 70305490
1H-indole;oxalyl dichloride
CID 87707386
1H-indole;2-oxopropanoyl chloride
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1H-indole;oxozinc
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1H-indole;dihydrochloride
CID 18796541
calcium;1H-indole;bis(3-(1H-indol-3-yl)propanoate);bis(3-(1H-indol-3-yl)propanoic acid)
CID 159793509
acetaldehyde;1H-indole
CID 22501409

Frequently Asked Questions

What is the IUPAC name of butanoic acid;1H-indole;propanoic acid?
The IUPAC name of butanoic acid;1H-indole;propanoic acid (CID 135353070) is butanoic acid;1H-indole;propanoic acid.
What is the SMILES notation for butanoic acid;1H-indole;propanoic acid?
The canonical SMILES for butanoic acid;1H-indole;propanoic acid is CCC(=O)O.CCCC(=O)O.c1ccc2[nH]ccc2c1.
What is the InChIKey of butanoic acid;1H-indole;propanoic acid?
The InChIKey is SZANGMXXCWTQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C4H8O2.C3H6O2/c1-2-4-8-7(3-1)5-6-9-8;1-2-3-4(5)6;1-2-3(4)5/h1-6,9H;2-3H2,1H3,(H,5,6);2H2,1H3,(H,4,5).
What are the key properties of butanoic acid;1H-indole;propanoic acid?
butanoic acid;1H-indole;propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;1H-indole;propanoic acid is sourced from PubChem (CID 135353070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).