(3-carboxy-3-phenylpentyl)-methylazanium

C13H20NO2+ — CID 143227048

IUPAC(3-carboxy-3-phenylpentyl)-methylazanium
SMILESCCC(CC[NH2+]C)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-13(12(15)16,9-10-14-2)11-7-5-4-6-8-11/h4-8,14H,3,9-10H2,1-2H3,(H,15,16)/p+1
InChIKeyXGXUZZNFNCRCEX-UHFFFAOYSA-O
MW222.31 g/mol
LogP1.00
Rot. Bonds6

About (3-carboxy-3-phenylpentyl)-methylazanium

(3-carboxy-3-phenylpentyl)-methylazanium (PubChem CID 143227048) has the molecular formula C13H20NO2+ and a molecular weight of 222.31 g/mol. Its IUPAC name is (3-carboxy-3-phenylpentyl)-methylazanium.

Molecular Properties

Compound Name(3-carboxy-3-phenylpentyl)-methylazanium
PubChem CID143227048
Molecular FormulaC13H20NO2+
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name(3-carboxy-3-phenylpentyl)-methylazanium
SMILESCCC(CC[NH2+]C)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-13(12(15)16,9-10-14-2)11-7-5-4-6-8-11/h4-8,14H,3,9-10H2,1-2H3,(H,15,16)/p+1
InChIKeyXGXUZZNFNCRCEX-UHFFFAOYSA-O
XLogP1.00
TPSA53.91 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid
CID 79426124
2-ethyl-6-methyl-2-phenylheptanoic acid
CID 83158043
2-ethyl-2-phenyldecanedioic acid
CID 159619008
4-ethyl-4-phenylhexan-3-one
CID 63083231
2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
2-butyl-2-phenylpentanedioic acid
CID 67892428
lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride
CID 174967816
2-carbonochloridoyl-2-phenylbutanoic acid
CID 82254336
2-nonyl-2-phenylpropanedioic acid
CID 70554602
2-phenyl-2-[(4-prop-2-ynylphenyl)methyl]butanoic acid
CID 88842563
3-butyl-3-phenylheptan-2-one
CID 11776692
calcium;hydride;2-octyl-2-phenylpropanedioic acid
CID 174969095

Frequently Asked Questions

What is the IUPAC name of (3-carboxy-3-phenylpentyl)-methylazanium?
The IUPAC name of (3-carboxy-3-phenylpentyl)-methylazanium (CID 143227048) is (3-carboxy-3-phenylpentyl)-methylazanium.
What is the SMILES notation for (3-carboxy-3-phenylpentyl)-methylazanium?
The canonical SMILES for (3-carboxy-3-phenylpentyl)-methylazanium is CCC(CC[NH2+]C)(C(=O)O)c1ccccc1.
What is the InChIKey of (3-carboxy-3-phenylpentyl)-methylazanium?
The InChIKey is XGXUZZNFNCRCEX-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H19NO2/c1-3-13(12(15)16,9-10-14-2)11-7-5-4-6-8-11/h4-8,14H,3,9-10H2,1-2H3,(H,15,16)/p+1.
What are the key properties of (3-carboxy-3-phenylpentyl)-methylazanium?
(3-carboxy-3-phenylpentyl)-methylazanium has a molecular weight of 222.31 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carboxy-3-phenylpentyl)-methylazanium is sourced from PubChem (CID 143227048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).