1,2,2-trimethyl-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid

C14H23NO3 — CID 5268669

IUPAC1,2,2-trimethyl-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C(=O)N2CCCC2)C1(C)C
InChIInChI=1S/C14H23NO3/c1-13(2)10(6-7-14(13,3)12(17)18)11(16)15-8-4-5-9-15/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyOQFLIXWBGNDUON-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.14
Rot. Bonds2

About 1,2,2-trimethyl-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid

1,2,2-trimethyl-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 5268669) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1,2,2-trimethyl-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1,2,2-trimethyl-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID5268669
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1,2,2-trimethyl-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C(=O)N2CCCC2)C1(C)C
InChIInChI=1S/C14H23NO3/c1-13(2)10(6-7-14(13,3)12(17)18)11(16)15-8-4-5-9-15/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyOQFLIXWBGNDUON-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 769339
1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 3151272
1,2,2-trimethyl-3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 171315074
trans-(1R,3S)-1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylate
CID 6940920
trans-(1S,3R)-3-methoxycarbonyl-1,2,2-trimethylcyclopentane-1-carboxylic acid;trans-methyl (1R,3S)-3-carbamoyl-2,2,3-trimethylcyclopentane-1-carboxylate
CID 158862340
trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazin-4-ium-1-carbonyl)cyclopentane-1-carboxylate
CID 6940936
2-(bromomethyl)-1,2-dimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid
CID 5085118
cis-(1R,3R)-3-(dimethylaminocarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 794349
trans-(1R,3S)-3-[3-[(1S,3R)-3-carboxy-2,2,3-trimethylcyclopentanecarbonyl]oxypropoxycarbonyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 100933944
3-(dimethylaminocarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 3114926
cis-(1S,3S)-1,2,2-trimethyl-3-[[[(2R)-spiro[2.3]hexane-2-carbonyl]amino]carbamoyl]cyclopentane-1-carboxylic acid
CID 6543629
N'-hydroxyethanimidamide;trans-(1S,3R)-3-methoxycarbonyl-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 173073537

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1,2,2-trimethyl-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 5268669) is 1,2,2-trimethyl-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1,2,2-trimethyl-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1,2,2-trimethyl-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCC(C(=O)N2CCCC2)C1(C)C.
What is the InChIKey of 1,2,2-trimethyl-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is OQFLIXWBGNDUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-13(2)10(6-7-14(13,3)12(17)18)11(16)15-8-4-5-9-15/h10H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 1,2,2-trimethyl-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
1,2,2-trimethyl-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 5268669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).