3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid

C16H29NO2 — CID 102786262

IUPAC3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C2CC(C)(C)CC(C)(C)C2)C1C(=O)O
InChIInChI=1S/C16H29NO2/c1-11-6-7-17(13(11)14(18)19)12-8-15(2,3)10-16(4,5)9-12/h11-13H,6-10H2,1-5H3,(H,18,19)
InChIKeyNDDOJTRATGGMKN-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.39
Rot. Bonds2

About 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid

3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid (PubChem CID 102786262) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid
PubChem CID102786262
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C2CC(C)(C)CC(C)(C)C2)C1C(=O)O
InChIInChI=1S/C16H29NO2/c1-11-6-7-17(13(11)14(18)19)12-8-15(2,3)10-16(4,5)9-12/h11-13H,6-10H2,1-5H3,(H,18,19)
InChIKeyNDDOJTRATGGMKN-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786617
1-(4-methoxycyclohexyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102787227
3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565254
1-(3-ethoxycyclobutyl)-3-methylpyrrolidine-2-carboxylic acid
CID 106824464
4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid
CID 103961433
3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
CID 102785778
1-[(2,2-dimethylcyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782384
1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid
CID 102786013
1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786918
2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one
CID 103966912
3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 102781941
3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
CID 130646219

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid (CID 102786262) is 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid is CC1CCN(C2CC(C)(C)CC(C)(C)C2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NDDOJTRATGGMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-11-6-7-17(13(11)14(18)19)12-8-15(2,3)10-16(4,5)9-12/h11-13H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102786262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).