methanamine;2-(3-pentylcyclobutyl)acetic acid

C12H25NO2 — CID 142181191

IUPACmethanamine;2-(3-pentylcyclobutyl)acetic acid
SMILESCCCCCC1CC(CC(=O)O)C1.CN
InChIInChI=1S/C11H20O2.CH5N/c1-2-3-4-5-9-6-10(7-9)8-11(12)13;1-2/h9-10H,2-8H2,1H3,(H,12,13);2H2,1H3
InChIKeyKEWQVZDPHMWBHE-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.64
Rot. Bonds6

About methanamine;2-(3-pentylcyclobutyl)acetic acid

methanamine;2-(3-pentylcyclobutyl)acetic acid (PubChem CID 142181191) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is methanamine;2-(3-pentylcyclobutyl)acetic acid.

Molecular Properties

Compound Namemethanamine;2-(3-pentylcyclobutyl)acetic acid
PubChem CID142181191
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namemethanamine;2-(3-pentylcyclobutyl)acetic acid
SMILESCCCCCC1CC(CC(=O)O)C1.CN
InChIInChI=1S/C11H20O2.CH5N/c1-2-3-4-5-9-6-10(7-9)8-11(12)13;1-2/h9-10H,2-8H2,1H3,(H,12,13);2H2,1H3
InChIKeyKEWQVZDPHMWBHE-UHFFFAOYSA-N
XLogP2.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-octylcyclobutane-1-carboxylic acid
CID 19430953
2-[(1R,2R)-2-hexylcyclopropyl]acetic acid
CID 91607184
acetic acid;2-(2-octylcyclopropyl)acetic acid
CID 67849608
carbonyl dichloride;pentylcyclohexane
CID 19977556
1-butyl-3,5-dipropylcyclohexane
CID 145132341
3-hexylbicyclo[3.1.0]hexane
CID 142241638
1,3-dipentylcyclohexane
CID 54105663
2-(5-decyloxolan-2-yl)acetic acid
CID 14377096
8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid
CID 58249014
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
3-(2-heptylcyclopropyl)propanoic acid
CID 75293982
2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid
CID 70272502

Frequently Asked Questions

What is the IUPAC name of methanamine;2-(3-pentylcyclobutyl)acetic acid?
The IUPAC name of methanamine;2-(3-pentylcyclobutyl)acetic acid (CID 142181191) is methanamine;2-(3-pentylcyclobutyl)acetic acid.
What is the SMILES notation for methanamine;2-(3-pentylcyclobutyl)acetic acid?
The canonical SMILES for methanamine;2-(3-pentylcyclobutyl)acetic acid is CCCCCC1CC(CC(=O)O)C1.CN.
What is the InChIKey of methanamine;2-(3-pentylcyclobutyl)acetic acid?
The InChIKey is KEWQVZDPHMWBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.CH5N/c1-2-3-4-5-9-6-10(7-9)8-11(12)13;1-2/h9-10H,2-8H2,1H3,(H,12,13);2H2,1H3.
What are the key properties of methanamine;2-(3-pentylcyclobutyl)acetic acid?
methanamine;2-(3-pentylcyclobutyl)acetic acid has a molecular weight of 215.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-(3-pentylcyclobutyl)acetic acid is sourced from PubChem (CID 142181191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).