1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid

C14H26N2O2 — CID 63211004

IUPAC1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCN(CCN1CCCC1)CC1(C(=O)O)CCCC1
InChIInChI=1S/C14H26N2O2/c1-15(10-11-16-8-4-5-9-16)12-14(13(17)18)6-2-3-7-14/h2-12H2,1H3,(H,17,18)
InChIKeyODZOXYPTANPDSE-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.66
Rot. Bonds6

About 1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 63211004) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID63211004
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCN(CCN1CCCC1)CC1(C(=O)O)CCCC1
InChIInChI=1S/C14H26N2O2/c1-15(10-11-16-8-4-5-9-16)12-14(13(17)18)6-2-3-7-14/h2-12H2,1H3,(H,17,18)
InChIKeyODZOXYPTANPDSE-UHFFFAOYSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 63207757
1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271739
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79859219
1-[[3-methoxypropyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 63008835
1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246423
1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 23088714
1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79313273
1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271764
2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65498524
1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62270655
2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 63211113
3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one
CID 79395842

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 63211004) is 1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid is CN(CCN1CCCC1)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is ODZOXYPTANPDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15(10-11-16-8-4-5-9-16)12-14(13(17)18)6-2-3-7-14/h2-12H2,1H3,(H,17,18).
What are the key properties of 1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63211004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).