1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid

C16H29NO2 — CID 122046353

IUPAC1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(CC1CCCCC1)CN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C16H29NO2/c1-13(10-14-6-4-3-5-7-14)11-17-9-8-16(2,12-17)15(18)19/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyKLAJGZASTWYBHG-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.39
Rot. Bonds5

About 1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid

1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122046353) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122046353
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(CC1CCCCC1)CN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C16H29NO2/c1-13(10-14-6-4-3-5-7-14)11-17-9-8-16(2,12-17)15(18)19/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyKLAJGZASTWYBHG-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122046270
1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 116503311
1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256212
1-(2-ethylbutyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65064170
1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147981
1-[2-[di(propan-2-yl)amino]-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63148071
1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
CID 115924013
1-(2,2-difluoroethyl)-3-methylpiperidine-3-carboxylic acid
CID 63137075
1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid
CID 116503309
3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79613133
1-(cyclopropylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124521
1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid
CID 65068812

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid (CID 122046353) is 1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid is CC(CC1CCCCC1)CN1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is KLAJGZASTWYBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13(10-14-6-4-3-5-7-14)11-17-9-8-16(2,12-17)15(18)19/h13-14H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122046353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).