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

C9H16N2O3 — CID 22322835

IUPAC1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCNC(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-2-10-8(12)6-11-4-3-7(5-11)9(13)14/h7H,2-6H2,1H3,(H,10,12)(H,13,14)
InChIKeyMFDOBFIJEQCUDH-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.47
Rot. Bonds4

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

1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 22322835) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID22322835
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCNC(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-2-10-8(12)6-11-4-3-7(5-11)9(13)14/h7H,2-6H2,1H3,(H,10,12)(H,13,14)
InChIKeyMFDOBFIJEQCUDH-UHFFFAOYSA-N
XLogP-0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39243400
1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 22322508
1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
CID 112568166
1-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030850
1-(2-oxopropyl)pyrrolidine-3-carboxylic acid
CID 121200178
1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63032025
1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904852
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904532
1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030679
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide
CID 114802680
methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47280826
(3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid
CID 129493333

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 22322835) is 1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is CCNC(=O)CN1CCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is MFDOBFIJEQCUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-10-8(12)6-11-4-3-7(5-11)9(13)14/h7H,2-6H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 22322835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).