1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid

C12H20N2O3 — CID 79854494

IUPAC1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)CC1(N)CCC1
InChIInChI=1S/C12H20N2O3/c1-11(10(16)17)4-3-7-14(11)9(15)8-12(13)5-2-6-12/h2-8,13H2,1H3,(H,16,17)
InChIKeySILWPBDQAJJJDO-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.72
Rot. Bonds3

About 1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid

1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 79854494) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid
PubChem CID79854494
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)CC1(N)CCC1
InChIInChI=1S/C12H20N2O3/c1-11(10(16)17)4-3-7-14(11)9(15)8-12(13)5-2-6-12/h2-8,13H2,1H3,(H,16,17)
InChIKeySILWPBDQAJJJDO-UHFFFAOYSA-N
XLogP0.72
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid (CID 79854494) is 1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1C(=O)CC1(N)CCC1.
What is the InChIKey of 1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is SILWPBDQAJJJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-11(10(16)17)4-3-7-14(11)9(15)8-12(13)5-2-6-12/h2-8,13H2,1H3,(H,16,17).
What are the key properties of 1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid?
1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79854494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).