1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid

C14H24N2O4 — CID 79382717

IUPAC1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C14H24N2O4/c1-4-11-8-20-9(2)7-16(11)14(19)15-6-5-12(10(15)3)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyNTYHVYLJKHZFIN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds2

About 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid

1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79382717) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79382717
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C14H24N2O4/c1-4-11-8-20-9(2)7-16(11)14(19)15-6-5-12(10(15)3)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyNTYHVYLJKHZFIN-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425340
(3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 81126016
2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383557
(5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone
CID 113222014
cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279
6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 43578297
2-methyl-1-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383287
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61424652
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 81204286
3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779868
2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid
CID 80997359
3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821469

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (CID 79382717) is 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is CCC1COC(C)CN1C(=O)N1CCC(C(=O)O)C1C.
What is the InChIKey of 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is NTYHVYLJKHZFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-4-11-8-20-9(2)7-16(11)14(19)15-6-5-12(10(15)3)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79382717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).