2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid

C10H18N2O3 — CID 63175274

IUPAC2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
SMILESCCN(CC)C1CCN(C(=O)C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-3-11(4-2)8-5-6-12(7-8)9(13)10(14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyPLWDDFGAPXQSSM-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.01
Rot. Bonds3

About 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid

2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid (PubChem CID 63175274) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
PubChem CID63175274
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
SMILESCCN(CC)C1CCN(C(=O)C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-3-11(4-2)8-5-6-12(7-8)9(13)10(14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyPLWDDFGAPXQSSM-UHFFFAOYSA-N
XLogP0.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetate
CID 63174646
4-[3-(diethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63782669
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid
CID 64618080
1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone
CID 64592292
2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid
CID 116683311
2-[3-(diethylamino)pyrrolidine-1-carbonyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390981
3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid
CID 63548994
(2S)-2-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 63167021
[3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone
CID 154844605
5-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 63175273
3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 115428801

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid?
The IUPAC name of 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid (CID 63175274) is 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid is CCN(CC)C1CCN(C(=O)C(=O)O)C1.
What is the InChIKey of 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid?
The InChIKey is PLWDDFGAPXQSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-11(4-2)8-5-6-12(7-8)9(13)10(14)15/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid?
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid is sourced from PubChem (CID 63175274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).