3-acetamido-1-methylpyrrolidine-3-carboxylic acid

C8H14N2O3 — CID 63705029

IUPAC3-acetamido-1-methylpyrrolidine-3-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCN(C)C1
InChIInChI=1S/C8H14N2O3/c1-6(11)9-8(7(12)13)3-4-10(2)5-8/h3-5H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyUGNPUZLFUQHXNK-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.72
Rot. Bonds2

About 3-acetamido-1-methylpyrrolidine-3-carboxylic acid

3-acetamido-1-methylpyrrolidine-3-carboxylic acid (PubChem CID 63705029) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-acetamido-1-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-acetamido-1-methylpyrrolidine-3-carboxylic acid
PubChem CID63705029
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-acetamido-1-methylpyrrolidine-3-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCN(C)C1
InChIInChI=1S/C8H14N2O3/c1-6(11)9-8(7(12)13)3-4-10(2)5-8/h3-5H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyUGNPUZLFUQHXNK-UHFFFAOYSA-N
XLogP-0.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-1-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-acetamido-1-methylpyrrolidine-3-carboxylic acid (CID 63705029) is 3-acetamido-1-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-acetamido-1-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-acetamido-1-methylpyrrolidine-3-carboxylic acid is CC(=O)NC1(C(=O)O)CCN(C)C1.
What is the InChIKey of 3-acetamido-1-methylpyrrolidine-3-carboxylic acid?
The InChIKey is UGNPUZLFUQHXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(11)9-8(7(12)13)3-4-10(2)5-8/h3-5H2,1-2H3,(H,9,11)(H,12,13).
What are the key properties of 3-acetamido-1-methylpyrrolidine-3-carboxylic acid?
3-acetamido-1-methylpyrrolidine-3-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-1-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63705029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).