1-(cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid

C15H25NO3 — CID 79364130

IUPAC1-(cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)C1CCCCCCC1
InChIInChI=1S/C15H25NO3/c1-11-13(15(18)19)9-10-16(11)14(17)12-7-5-3-2-4-6-8-12/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyNEJAFBZJWBCGEP-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.67
Rot. Bonds2

About 1-(cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid

1-(cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79364130) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79364130
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)C1CCCCCCC1
InChIInChI=1S/C15H25NO3/c1-11-13(15(18)19)9-10-16(11)14(17)12-7-5-3-2-4-6-8-12/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyNEJAFBZJWBCGEP-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid (CID 79364130) is 1-(cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)C1CCCCCCC1.
What is the InChIKey of 1-(cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is NEJAFBZJWBCGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-13(15(18)19)9-10-16(11)14(17)12-7-5-3-2-4-6-8-12/h11-13H,2-10H2,1H3,(H,18,19).
What are the key properties of 1-(cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79364130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).