1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid

C15H27NO2 — CID 122046270

IUPAC1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(CCC2CCCCCC2)C1
InChIInChI=1S/C15H27NO2/c1-15(14(17)18)9-11-16(12-15)10-8-13-6-4-2-3-5-7-13/h13H,2-12H2,1H3,(H,17,18)
InChIKeyYJQRGNZRBPYGDQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.14
Rot. Bonds4

About 1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid

1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122046270) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122046270
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(CCC2CCCCCC2)C1
InChIInChI=1S/C15H27NO2/c1-15(14(17)18)9-11-16(12-15)10-8-13-6-4-2-3-5-7-13/h13H,2-12H2,1H3,(H,17,18)
InChIKeyYJQRGNZRBPYGDQ-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122046353
3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566531
3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
CID 114082034
1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
CID 115924013
3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid
CID 104808762
3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79613133
1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709629
1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide
CID 114191294
1-(cyclopropylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124521
3-methyl-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 106454697
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325
1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256212

Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid (CID 122046270) is 1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(CCC2CCCCCC2)C1.
What is the InChIKey of 1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is YJQRGNZRBPYGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(14(17)18)9-11-16(12-15)10-8-13-6-4-2-3-5-7-13/h13H,2-12H2,1H3,(H,17,18).
What are the key properties of 1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122046270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).