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

C14H24N2O5 — CID 61424652

IUPAC1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)N1CC(OC)CC1C(=O)O
InChIInChI=1S/C14H24N2O5/c1-4-10-8-21-9(2)6-15(10)14(19)16-7-11(20-3)5-12(16)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyYKGAJNFQAGMSNS-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.78
Rot. Bonds3

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

1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 61424652) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID61424652
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)N1CC(OC)CC1C(=O)O
InChIInChI=1S/C14H24N2O5/c1-4-10-8-21-9(2)6-15(10)14(19)16-7-11(20-3)5-12(16)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyYKGAJNFQAGMSNS-UHFFFAOYSA-N
XLogP0.78
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425340
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382717
3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779868
(5-ethyl-2-methylmorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 61214758
1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 55149436
3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 43578295
(5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone
CID 113222014
1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61191791
(2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842866
2-hydroxyethyl 5-ethyl-2-methylmorpholine-4-carboxylate
CID 79345232
1-(5-ethyl-2-methylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one
CID 103029074
5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid
CID 43578300

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 61424652) is 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid is CCC1COC(C)CN1C(=O)N1CC(OC)CC1C(=O)O.
What is the InChIKey of 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is YKGAJNFQAGMSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-4-10-8-21-9(2)6-15(10)14(19)16-7-11(20-3)5-12(16)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)-4-methoxypyrrolidine-2-carboxylic acid?
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61424652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).