1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid

C14H25NO2 — CID 102786617

IUPAC1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C2CCC(C)(C)CC2)C1C(=O)O
InChIInChI=1S/C14H25NO2/c1-10-6-9-15(12(10)13(16)17)11-4-7-14(2,3)8-5-11/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyVFBKTXQFUIKJIX-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.75
Rot. Bonds2

About 1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid

1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102786617) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102786617
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C2CCC(C)(C)CC2)C1C(=O)O
InChIInChI=1S/C14H25NO2/c1-10-6-9-15(12(10)13(16)17)11-4-7-14(2,3)8-5-11/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyVFBKTXQFUIKJIX-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 102786262
1-(4-methoxycyclohexyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102787227
3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565254
(2S)-1-(4,4-dimethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 110838436
1-(3-ethoxycyclobutyl)-3-methylpyrrolidine-2-carboxylic acid
CID 106824464
1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65065747
1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid
CID 107072534
1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786918
1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid
CID 102786013
3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
CID 102785778
1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 107175956
1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071939

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid (CID 102786617) is 1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C2CCC(C)(C)CC2)C1C(=O)O.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is VFBKTXQFUIKJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10-6-9-15(12(10)13(16)17)11-4-7-14(2,3)8-5-11/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102786617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).