1-(2-amino-1-methylcyclopentanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid

C13H22N2O3 — CID 82767712

IUPAC1-(2-amino-1-methylcyclopentanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)C2(C)CCCC2N)CC1C(=O)O
InChIInChI=1S/C13H22N2O3/c1-8-6-15(7-9(8)11(16)17)12(18)13(2)5-3-4-10(13)14/h8-10H,3-7,14H2,1-2H3,(H,16,17)
InChIKeyWPVOURWTSGRSPQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.68
Rot. Bonds2

About 1-(2-amino-1-methylcyclopentanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid

1-(2-amino-1-methylcyclopentanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 82767712) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-amino-1-methylcyclopentanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-1-methylcyclopentanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID82767712
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(2-amino-1-methylcyclopentanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)C2(C)CCCC2N)CC1C(=O)O
InChIInChI=1S/C13H22N2O3/c1-8-6-15(7-9(8)11(16)17)12(18)13(2)5-3-4-10(13)14/h8-10H,3-7,14H2,1-2H3,(H,16,17)
InChIKeyWPVOURWTSGRSPQ-UHFFFAOYSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-methylcyclopentanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-1-methylcyclopentanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid (CID 82767712) is 1-(2-amino-1-methylcyclopentanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-1-methylcyclopentanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-1-methylcyclopentanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)C2(C)CCCC2N)CC1C(=O)O.
What is the InChIKey of 1-(2-amino-1-methylcyclopentanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is WPVOURWTSGRSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8-6-15(7-9(8)11(16)17)12(18)13(2)5-3-4-10(13)14/h8-10H,3-7,14H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-amino-1-methylcyclopentanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(2-amino-1-methylcyclopentanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-methylcyclopentanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82767712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).