2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid

C15H26N2O4 — CID 81156840

IUPAC2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESCCC1COC(C)CN1C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C15H26N2O4/c1-3-12-9-21-11(2)8-17(12)14(20)16-10-15(5-4-6-15)7-13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyHDMQJTZHENZGHH-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.84
Rot. Bonds5

About 2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81156840) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81156840
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESCCC1COC(C)CN1C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C15H26N2O4/c1-3-12-9-21-11(2)8-17(12)14(20)16-10-15(5-4-6-15)7-13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyHDMQJTZHENZGHH-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81196724
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 62669577
1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43578291
1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 65242004
2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid
CID 61424649
4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 80540606
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61424705
N-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboxamide
CID 113222805
2-[1-[[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81157435
3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61425117
(2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566402
5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid
CID 43578300

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid (CID 81156840) is 2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid is CCC1COC(C)CN1C(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is HDMQJTZHENZGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-12-9-21-11(2)8-17(12)14(20)16-10-15(5-4-6-15)7-13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81156840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).