1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

C9H16N2O3 — CID 63030679

IUPAC1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCN(C)C(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-10(2)8(12)6-11-4-3-7(5-11)9(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyRQWTVPPEBNQZOU-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.52
Rot. Bonds3

About 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 63030679) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID63030679
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCN(C)C(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-10(2)8(12)6-11-4-3-7(5-11)9(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyRQWTVPPEBNQZOU-UHFFFAOYSA-N
XLogP-0.52
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxopropyl)pyrrolidine-3-carboxylic acid
CID 121200178
1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904803
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032762
(3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid
CID 129493333
1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904470
1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 22322835
N,N-dimethyl-2-(4-methylpiperidin-1-yl)acetamide;ethane
CID 145317125
benzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 166903939
1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385879
1-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119903870
1-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441016
1-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030850

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 63030679) is 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is CN(C)C(=O)CN1CCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RQWTVPPEBNQZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-10(2)8(12)6-11-4-3-7(5-11)9(13)14/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).