6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid

C11H21NO2 — CID 174674444

IUPAC6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
SMILESC[C@@H]1CCCN1CCCCCC(=O)O
InChIInChI=1S/C11H21NO2/c1-10-6-5-9-12(10)8-4-2-3-7-11(13)14/h10H,2-9H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyZNGPPJADERIZGJ-SNVBAGLBSA-N
MW199.29 g/mol
LogP2.12
Rot. Bonds6

About 6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid

6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid (PubChem CID 174674444) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid.

Molecular Properties

Compound Name6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
PubChem CID174674444
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
SMILESC[C@@H]1CCCN1CCCCCC(=O)O
InChIInChI=1S/C11H21NO2/c1-10-6-5-9-12(10)8-4-2-3-7-11(13)14/h10H,2-9H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyZNGPPJADERIZGJ-SNVBAGLBSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703
7-[2-(hydroxymethyl)pyrrolidin-1-yl]heptanoic acid
CID 174218566
1-(5-chloropentyl)-2-methylpyrrolidine
CID 61288938
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
CID 28972400
9-(2-methylpyrrolidin-1-yl)nonane-1-thiol
CID 105343993
1-heptyl-2-methylpyrrolidine;methanesulfonic acid
CID 175584058
5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid
CID 79680349
4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid
CID 119135528
4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
CID 64894440
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
N'-hydroxy-5-(2-methylpiperidin-1-yl)pentanimidamide
CID 109374519

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid?
The IUPAC name of 6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid (CID 174674444) is 6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid.
What is the SMILES notation for 6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid?
The canonical SMILES for 6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid is C[C@@H]1CCCN1CCCCCC(=O)O.
What is the InChIKey of 6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid?
The InChIKey is ZNGPPJADERIZGJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10-6-5-9-12(10)8-4-2-3-7-11(13)14/h10H,2-9H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of 6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid?
6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid is sourced from PubChem (CID 174674444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).