2-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C12H20N2O4 — CID 82748744

IUPAC2-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)N(C)C1CCOC1
InChIInChI=1S/C12H20N2O4/c1-8-10(11(15)16)3-5-14(8)12(17)13(2)9-4-6-18-7-9/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyAYDIIIDGENCHBE-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.62
Rot. Bonds2

About 2-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

2-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 82748744) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID82748744
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)N(C)C1CCOC1
InChIInChI=1S/C12H20N2O4/c1-8-10(11(15)16)3-5-14(8)12(17)13(2)9-4-6-18-7-9/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyAYDIIIDGENCHBE-UHFFFAOYSA-N
XLogP0.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 82748744) is 2-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)N(C)C1CCOC1.
What is the InChIKey of 2-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is AYDIIIDGENCHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8-10(11(15)16)3-5-14(8)12(17)13(2)9-4-6-18-7-9/h8-10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82748744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).