[2-(carboxymethyl)-2-hydroxycyclooctyl]-trimethylazanium

C13H26NO3+ — CID 160741993

IUPAC[2-(carboxymethyl)-2-hydroxycyclooctyl]-trimethylazanium
SMILESC[N+](C)(C)C1CCCCCCC1(O)CC(=O)O
InChIInChI=1S/C13H25NO3/c1-14(2,3)11-8-6-4-5-7-9-13(11,17)10-12(15)16/h11,17H,4-10H2,1-3H3/p+1
InChIKeyRVRZJEPGZSIRER-UHFFFAOYSA-O
MW244.35 g/mol
LogP1.62
Rot. Bonds3

About [2-(carboxymethyl)-2-hydroxycyclooctyl]-trimethylazanium

[2-(carboxymethyl)-2-hydroxycyclooctyl]-trimethylazanium (PubChem CID 160741993) has the molecular formula C13H26NO3+ and a molecular weight of 244.35 g/mol. Its IUPAC name is [2-(carboxymethyl)-2-hydroxycyclooctyl]-trimethylazanium.

Molecular Properties

Compound Name[2-(carboxymethyl)-2-hydroxycyclooctyl]-trimethylazanium
PubChem CID160741993
Molecular FormulaC13H26NO3+
Molecular Weight244.35 g/mol
Exact Mass244.19
IUPAC Name[2-(carboxymethyl)-2-hydroxycyclooctyl]-trimethylazanium
SMILESC[N+](C)(C)C1CCCCCCC1(O)CC(=O)O
InChIInChI=1S/C13H25NO3/c1-14(2,3)11-8-6-4-5-7-9-13(11,17)10-12(15)16/h11,17H,4-10H2,1-3H3/p+1
InChIKeyRVRZJEPGZSIRER-UHFFFAOYSA-O
XLogP1.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,2S)-1-hydroxy-2-phenylcyclohexyl]acetic acid
CID 40501081
2-(1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl)acetic acid
CID 83909842
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862
sodium 2-[1-(hydroxymethyl)cyclohexyl]acetic acid
CID 162368007
2-[1-(carboxymethyl)-4-cyclohexylcyclohexyl]acetic acid
CID 71401425
2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071131
2-[1-hydroxy-2-(4-phenylmethoxyphenyl)cyclohexyl]acetic acid
CID 91366946
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164623
2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate
CID 147745082
methyl 2-[(1R,2R)-1,2-dihydroxycyclohexyl]acetate
CID 11600811

Frequently Asked Questions

What is the IUPAC name of [2-(carboxymethyl)-2-hydroxycyclooctyl]-trimethylazanium?
The IUPAC name of [2-(carboxymethyl)-2-hydroxycyclooctyl]-trimethylazanium (CID 160741993) is [2-(carboxymethyl)-2-hydroxycyclooctyl]-trimethylazanium.
What is the SMILES notation for [2-(carboxymethyl)-2-hydroxycyclooctyl]-trimethylazanium?
The canonical SMILES for [2-(carboxymethyl)-2-hydroxycyclooctyl]-trimethylazanium is C[N+](C)(C)C1CCCCCCC1(O)CC(=O)O.
What is the InChIKey of [2-(carboxymethyl)-2-hydroxycyclooctyl]-trimethylazanium?
The InChIKey is RVRZJEPGZSIRER-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H25NO3/c1-14(2,3)11-8-6-4-5-7-9-13(11,17)10-12(15)16/h11,17H,4-10H2,1-3H3/p+1.
What are the key properties of [2-(carboxymethyl)-2-hydroxycyclooctyl]-trimethylazanium?
[2-(carboxymethyl)-2-hydroxycyclooctyl]-trimethylazanium has a molecular weight of 244.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carboxymethyl)-2-hydroxycyclooctyl]-trimethylazanium is sourced from PubChem (CID 160741993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).