1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid

C12H19NO3 — CID 4627654

IUPAC1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C12H19NO3/c14-11(9-5-2-1-3-6-9)13-8-4-7-10(13)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyHAKVQQRIKXMAJZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.64
Rot. Bonds2

About 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid

1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 4627654) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID4627654
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C12H19NO3/c14-11(9-5-2-1-3-6-9)13-8-4-7-10(13)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyHAKVQQRIKXMAJZ-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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid (CID 4627654) is 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HAKVQQRIKXMAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(9-5-2-1-3-6-9)13-8-4-7-10(13)12(15)16/h9-10H,1-8H2,(H,15,16).
What are the key properties of 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
1-(cyclohexanecarbonyl)pyrrolidine-2-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-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 4627654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).