1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid

C15H25NO3 — CID 107175956

IUPAC1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CCCCC2(C)C)C1C(=O)O
InChIInChI=1S/C15H25NO3/c1-10-7-9-16(12(10)14(18)19)13(17)11-6-4-5-8-15(11,2)3/h10-12H,4-9H2,1-3H3,(H,18,19)
InChIKeyIYENLWFMRUIHII-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.52
Rot. Bonds2

About 1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid

1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 107175956) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID107175956
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CCCCC2(C)C)C1C(=O)O
InChIInChI=1S/C15H25NO3/c1-10-7-9-16(12(10)14(18)19)13(17)11-6-4-5-8-15(11,2)3/h10-12H,4-9H2,1-3H3,(H,18,19)
InChIKeyIYENLWFMRUIHII-UHFFFAOYSA-N
XLogP2.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107181025
(2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175429
3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 102775893
1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780337
1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide
CID 107182819
[2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183977
1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one
CID 107178848
1-[(2,2-dimethylcyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782384
3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780280
1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 107175943
3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 107068667
(2,2-dimethylcyclopentyl)-(4-hydroxypiperidin-1-yl)methanone
CID 104917952

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid (CID 107175956) is 1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C(=O)C2CCCCC2(C)C)C1C(=O)O.
What is the InChIKey of 1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is IYENLWFMRUIHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10-7-9-16(12(10)14(18)19)13(17)11-6-4-5-8-15(11,2)3/h10-12H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107175956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).