2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid

C8H14N2O3 — CID 90203134

IUPAC2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid
SMILESCC1(C)CC(C(N)=O)N(C(=O)O)C1
InChIInChI=1S/C8H14N2O3/c1-8(2)3-5(6(9)11)10(4-8)7(12)13/h5H,3-4H2,1-2H3,(H2,9,11)(H,12,13)
InChIKeyCWQOZRHNFLHIPV-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.25
Rot. Bonds1

About 2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid

2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid (PubChem CID 90203134) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid
PubChem CID90203134
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid
SMILESCC1(C)CC(C(N)=O)N(C(=O)O)C1
InChIInChI=1S/C8H14N2O3/c1-8(2)3-5(6(9)11)10(4-8)7(12)13/h5H,3-4H2,1-2H3,(H2,9,11)(H,12,13)
InChIKeyCWQOZRHNFLHIPV-UHFFFAOYSA-N
XLogP0.25
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid?
The IUPAC name of 2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid (CID 90203134) is 2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid is CC1(C)CC(C(N)=O)N(C(=O)O)C1.
What is the InChIKey of 2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid?
The InChIKey is CWQOZRHNFLHIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-8(2)3-5(6(9)11)10(4-8)7(12)13/h5H,3-4H2,1-2H3,(H2,9,11)(H,12,13).
What are the key properties of 2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid?
2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 90203134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).