2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid

C8H15AlO2 — CID 149498452

IUPAC2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid
SMILESCC1CC(CC(=O)O)[C@H]([AlH2])C1
InChIInChI=1S/C8H13O2.Al.2H/c1-6-2-3-7(4-6)5-8(9)10;;;/h3,6-7H,2,4-5H2,1H3,(H,9,10);;;
InChIKeyZGNCSKIMMKSEFY-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.93
Rot. Bonds2

About 2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid

2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid (PubChem CID 149498452) has the molecular formula C8H15AlO2 and a molecular weight of 170.19 g/mol. Its IUPAC name is 2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid
PubChem CID149498452
Molecular FormulaC8H15AlO2
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid
SMILESCC1CC(CC(=O)O)[C@H]([AlH2])C1
InChIInChI=1S/C8H13O2.Al.2H/c1-6-2-3-7(4-6)5-8(9)10;;;/h3,6-7H,2,4-5H2,1H3,(H,9,10);;;
InChIKeyZGNCSKIMMKSEFY-UHFFFAOYSA-N
XLogP0.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid
CID 115016227
2-(2,4-dimethylcyclohexyl)acetic acid
CID 64774330
2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid
CID 54375426
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
2-[(1R,2R)-2-aminocyclopropyl]acetic acid;hydrochloride
CID 71769500
2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride
CID 71769504
2-[(1R,2S)-2-fluorocyclopropyl]acetic acid
CID 162187891
2-(2-bromocyclopropyl)acetic acid
CID 12943906
3-methylcyclobutane-1-carboxylic acid
CID 3044406
2-[(1R,2S)-2-methylcyclohexyl]acetic acid
CID 41097348
2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid
CID 118622769
3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid
CID 123687434

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid?
The IUPAC name of 2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid (CID 149498452) is 2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid?
The canonical SMILES for 2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid is CC1CC(CC(=O)O)[C@H]([AlH2])C1.
What is the InChIKey of 2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid?
The InChIKey is ZGNCSKIMMKSEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O2.Al.2H/c1-6-2-3-7(4-6)5-8(9)10;;;/h3,6-7H,2,4-5H2,1H3,(H,9,10);;;.
What are the key properties of 2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid?
2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid has a molecular weight of 170.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid is sourced from PubChem (CID 149498452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).