3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid

C12H22N2O4 — CID 61424705

IUPAC3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCCC1COC(C)CN1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-10-7-18-9(3)6-14(10)12(17)13-8(2)5-11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyPDEUJNDYTHPEDT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.06
Rot. Bonds4

About 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid

3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid (PubChem CID 61424705) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid
PubChem CID61424705
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCCC1COC(C)CN1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-10-7-18-9(3)6-14(10)12(17)13-8(2)5-11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyPDEUJNDYTHPEDT-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566402
4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
CID 61425360
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 62669577
4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 80540606
2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid
CID 61424649
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 61424912
N-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboxamide
CID 113222805
3-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one;hydrochloride
CID 119682269
3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61425117
2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81156840
5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid
CID 43578300
cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid (CID 61424705) is 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid is CCC1COC(C)CN1C(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid?
The InChIKey is PDEUJNDYTHPEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-10-7-18-9(3)6-14(10)12(17)13-8(2)5-11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid?
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61424705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).