1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid

C12H19NO3 — CID 3238408

IUPAC1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C12H19NO3/c14-11-7-9(12(15)16)8-13(11)10-5-3-1-2-4-6-10/h9-10H,1-8H2,(H,15,16)
InChIKeyDSIJZEFRTBQDCQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.64
Rot. Bonds2

About 1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid

1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 3238408) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID3238408
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C12H19NO3/c14-11-7-9(12(15)16)8-13(11)10-5-3-1-2-4-6-10/h9-10H,1-8H2,(H,15,16)
InChIKeyDSIJZEFRTBQDCQ-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Oxo-1-(propan-2-yl)pyrrolidine-3-carboxylic acid
CID 3151004
1-Cyclopropyl-5-oxopyrrolidine-3-carboxylic acid
CID 4714359
1-Cyclohexyl-5-oxopyrrolidine-3-carboxylic acid
CID 238546
1-Sec-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
1-Cyclopentyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777956
1-Dodecyl-5-oxopyrrolidine-3-carboxylic acid
CID 111996
1-(4-Methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2967410
1-(1-Ethylpropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4778108
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid
CID 776745
1-Octyl-5-oxopyrrolidine-3-carboxylic acid
CID 94089
1-Octadecyl-5-oxopyrrolidine-3-carboxylic acid
CID 111995
1-Hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 3031549

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid (CID 3238408) is 1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is DSIJZEFRTBQDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11-7-9(12(15)16)8-13(11)10-5-3-1-2-4-6-10/h9-10H,1-8H2,(H,15,16).
What are the key properties of 1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid?
1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 3238408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).