1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid

C15H25NO3 — CID 54882575

IUPAC1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCC1CCCN1C(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H25NO3/c1-12-7-6-10-16(12)13(17)11-15(14(18)19)8-4-2-3-5-9-15/h12H,2-11H2,1H3,(H,18,19)
InChIKeyZRENSGYYWJJKOF-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.81
Rot. Bonds3

About 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid

1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid (PubChem CID 54882575) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
PubChem CID54882575
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCC1CCCN1C(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H25NO3/c1-12-7-6-10-16(12)13(17)11-15(14(18)19)8-4-2-3-5-9-15/h12H,2-11H2,1H3,(H,18,19)
InChIKeyZRENSGYYWJJKOF-UHFFFAOYSA-N
XLogP2.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 106773936
1-[2-(4-methylazepan-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 63622422
2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone
CID 79854226
1-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114678079
2-chloro-1-(2-methylazepan-1-yl)ethanone
CID 21490096
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 39036127
1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43437351
1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63135804
1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43590255
1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 66062486
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid (CID 54882575) is 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid is CC1CCCN1C(=O)CC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid?
The InChIKey is ZRENSGYYWJJKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12-7-6-10-16(12)13(17)11-15(14(18)19)8-4-2-3-5-9-15/h12H,2-11H2,1H3,(H,18,19).
What are the key properties of 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid?
1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 54882575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).