2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid

C12H20N2O3 — CID 106318948

IUPAC2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid
SMILESCNC(=O)C1(C)CCN(C(C(=O)O)C2CC2)C1
InChIInChI=1S/C12H20N2O3/c1-12(11(17)13-2)5-6-14(7-12)9(10(15)16)8-3-4-8/h8-9H,3-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyGDDMZEQWGLTSOB-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.31
Rot. Bonds4

About 2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid

2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid (PubChem CID 106318948) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid
PubChem CID106318948
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid
SMILESCNC(=O)C1(C)CCN(C(C(=O)O)C2CC2)C1
InChIInChI=1S/C12H20N2O3/c1-12(11(17)13-2)5-6-14(7-12)9(10(15)16)8-3-4-8/h8-9H,3-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyGDDMZEQWGLTSOB-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid (CID 106318948) is 2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid is CNC(=O)C1(C)CCN(C(C(=O)O)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid?
The InChIKey is GDDMZEQWGLTSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(11(17)13-2)5-6-14(7-12)9(10(15)16)8-3-4-8/h8-9H,3-7H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid?
2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 106318948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).