4-[(1-propanoylpyrrolidin-2-yl)methylamino]cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 71207305

IUPAC4-[(1-propanoylpyrrolidin-2-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCCC(=O)N1CCCC1CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-2-14(18)17-9-3-4-13(17)10-16-12-7-5-11(6-8-12)15(19)20/h11-13,16H,2-10H2,1H3,(H,19,20)
InChIKeyCJGKZWBCIQXCCD-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.62
Rot. Bonds5

About 4-[(1-propanoylpyrrolidin-2-yl)methylamino]cyclohexane-1-carboxylic acid

4-[(1-propanoylpyrrolidin-2-yl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 71207305) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-[(1-propanoylpyrrolidin-2-yl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-propanoylpyrrolidin-2-yl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID71207305
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-[(1-propanoylpyrrolidin-2-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCCC(=O)N1CCCC1CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-2-14(18)17-9-3-4-13(17)10-16-12-7-5-11(6-8-12)15(19)20/h11-13,16H,2-10H2,1H3,(H,19,20)
InChIKeyCJGKZWBCIQXCCD-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-propanoylpyrrolidin-2-yl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-propanoylpyrrolidin-2-yl)methylamino]cyclohexane-1-carboxylic acid (CID 71207305) is 4-[(1-propanoylpyrrolidin-2-yl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-propanoylpyrrolidin-2-yl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-propanoylpyrrolidin-2-yl)methylamino]cyclohexane-1-carboxylic acid is CCC(=O)N1CCCC1CNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(1-propanoylpyrrolidin-2-yl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is CJGKZWBCIQXCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-14(18)17-9-3-4-13(17)10-16-12-7-5-11(6-8-12)15(19)20/h11-13,16H,2-10H2,1H3,(H,19,20).
What are the key properties of 4-[(1-propanoylpyrrolidin-2-yl)methylamino]cyclohexane-1-carboxylic acid?
4-[(1-propanoylpyrrolidin-2-yl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propanoylpyrrolidin-2-yl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 71207305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).