5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid

C14H27NO2 — CID 79680349

IUPAC5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid
SMILESCC(C)C(CCC(=O)O)CCN1CCCC1C
InChIInChI=1S/C14H27NO2/c1-11(2)13(6-7-14(16)17)8-10-15-9-4-5-12(15)3/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyNZEKEJFMJIODPE-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds7

About 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid

5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid (PubChem CID 79680349) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid
PubChem CID79680349
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid
SMILESCC(C)C(CCC(=O)O)CCN1CCCC1C
InChIInChI=1S/C14H27NO2/c1-11(2)13(6-7-14(16)17)8-10-15-9-4-5-12(15)3/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyNZEKEJFMJIODPE-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid
CID 79695733
6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
CID 174674444
5-methyl-4-[2-(3-propan-2-ylazetidin-1-yl)ethyl]hexanoic acid
CID 79695212
2-(2-methylpyrrolidin-1-yl)pentanedioic acid
CID 79680347
4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid
CID 82934135
4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
CID 64894440
3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215711
2-amino-4-(2-methylpyrrolidin-1-yl)butan-1-ol
CID 64791163
diethyl 2-[4-(2-methylpyrrolidin-1-yl)butyl]propanedioate
CID 118595668
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid
CID 63027395
4-[2-(3,3-diethylazetidin-1-yl)ethyl]-5-methylhexanoic acid
CID 79694273

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid?
The IUPAC name of 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid (CID 79680349) is 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid.
What is the SMILES notation for 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid?
The canonical SMILES for 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid is CC(C)C(CCC(=O)O)CCN1CCCC1C.
What is the InChIKey of 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid?
The InChIKey is NZEKEJFMJIODPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)13(6-7-14(16)17)8-10-15-9-4-5-12(15)3/h11-13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid?
5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid is sourced from PubChem (CID 79680349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).