3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid

C14H25NO2 — CID 106664242

IUPAC3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid
SMILESCC1CC(C)(C)CC1N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C14H25NO2/c1-10-7-13(2,3)8-11(10)15-6-5-14(4,9-15)12(16)17/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeySQNVPPDNAQQHAP-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.61
Rot. Bonds2

About 3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid (PubChem CID 106664242) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid
PubChem CID106664242
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid
SMILESCC1CC(C)(C)CC1N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C14H25NO2/c1-10-7-13(2,3)8-11(10)15-6-5-14(4,9-15)12(16)17/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeySQNVPPDNAQQHAP-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-methylthian-3-yl)pyrrolidine-3-carboxylic acid
CID 79951691
3-amino-1-(2,4,4-trimethylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 107321483
1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid
CID 65069203
N,4-dimethyl-1-(2,4,4-trimethylcyclopentyl)piperidin-4-amine
CID 106663529
2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid
CID 106664199
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid
CID 103961419
3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid
CID 65063878
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid
CID 106664270
4-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid
CID 65064613
3-methyl-1-(1-propylazepan-4-yl)pyrrolidine-3-carboxylic acid
CID 65076980
4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid
CID 65082997

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid (CID 106664242) is 3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid is CC1CC(C)(C)CC1N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid?
The InChIKey is SQNVPPDNAQQHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10-7-13(2,3)8-11(10)15-6-5-14(4,9-15)12(16)17/h10-11H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106664242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).