1-(1-aminocyclohexanecarbonyl)pyrrolidine-3-carboxylic acid

C12H20N2O3 — CID 63030884

IUPAC1-(1-aminocyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)N2CCC(C(=O)O)C2)CCCCC1
InChIInChI=1S/C12H20N2O3/c13-12(5-2-1-3-6-12)11(17)14-7-4-9(8-14)10(15)16/h9H,1-8,13H2,(H,15,16)
InChIKeyCCQTXUVFXVGZGJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.58
Rot. Bonds2

About 1-(1-aminocyclohexanecarbonyl)pyrrolidine-3-carboxylic acid

1-(1-aminocyclohexanecarbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63030884) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(1-aminocyclohexanecarbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-aminocyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63030884
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(1-aminocyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)N2CCC(C(=O)O)C2)CCCCC1
InChIInChI=1S/C12H20N2O3/c13-12(5-2-1-3-6-12)11(17)14-7-4-9(8-14)10(15)16/h9H,1-8,13H2,(H,15,16)
InChIKeyCCQTXUVFXVGZGJ-UHFFFAOYSA-N
XLogP0.58
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexanecarbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-aminocyclohexanecarbonyl)pyrrolidine-3-carboxylic acid (CID 63030884) is 1-(1-aminocyclohexanecarbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-aminocyclohexanecarbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-aminocyclohexanecarbonyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)N2CCC(C(=O)O)C2)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexanecarbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is CCQTXUVFXVGZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c13-12(5-2-1-3-6-12)11(17)14-7-4-9(8-14)10(15)16/h9H,1-8,13H2,(H,15,16).
What are the key properties of 1-(1-aminocyclohexanecarbonyl)pyrrolidine-3-carboxylic acid?
1-(1-aminocyclohexanecarbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexanecarbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).