1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid

C12H19NO3 — CID 107000430

IUPAC1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C)CC1C(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C12H19NO3/c1-11(2)7-8(11)9(14)13-6-4-5-12(13,3)10(15)16/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyPZZCMEAZMPIJJV-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.50
Rot. Bonds2

About 1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid

1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 107000430) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID107000430
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C)CC1C(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C12H19NO3/c1-11(2)7-8(11)9(14)13-6-4-5-12(13,3)10(15)16/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyPZZCMEAZMPIJJV-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-Dimethylpropanoyl)pyrrolidine-2-carboxylic acid
CID 2740698
1-(4-Carboxy-2-methyl-butyryl)-pyrrolidine-2-carboxylic acid
CID 44317192
Isobutyrylproline
CID 15324300
L-Proline, 1-(2,2-dimethyl-1-oxopropyl)-
CID 760054
1-[(2S)-4-carboxy-2-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 44305060
1-(4-Carboxy-2-methyl-pentanoyl)-pyrrolidine-2-carboxylic acid
CID 44459063
1-(2-Methylpropanoyl)pyrrolidine-2-carboxylic acid
CID 15324301
1-(4-carboxy-4-methylbutanoyl)-L-proline
CID 44368529
1-(3,3-Dimethylbutanoyl)pyrrolidine-2-carboxylic acid
CID 16769475
1-Acetyl-2-methylpyrrolidine-2-carboxylic acid
CID 64370637
1-(4-Carboxy-pentanoyl)-pyrrolidine-2-carboxylic acid
CID 21319418
1-(2,2-dimethylpropanoyl)-L-proline
CID 760058

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid (CID 107000430) is 1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid is CC1(C)CC1C(=O)N1CCCC1(C)C(=O)O.
What is the InChIKey of 1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is PZZCMEAZMPIJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-11(2)7-8(11)9(14)13-6-4-5-12(13,3)10(15)16/h8H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid?
1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107000430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).