(2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid

C13H24N2O4 — CID 107566402

IUPAC(2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CC(C)OCC1CC)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-6-11(12(16)17)14-13(18)15-7-9(3)19-8-10(15)5-2/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/t9?,10?,11-/m1/s1
InChIKeyQXEXLQLKHWPFIL-VQXHTEKXSA-N
MW272.34 g/mol
LogP1.45
Rot. Bonds5

About (2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid

(2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid (PubChem CID 107566402) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid
PubChem CID107566402
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CC(C)OCC1CC)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-6-11(12(16)17)14-13(18)15-7-9(3)19-8-10(15)5-2/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/t9?,10?,11-/m1/s1
InChIKeyQXEXLQLKHWPFIL-VQXHTEKXSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
CID 61425360
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61424705
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566263
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
5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 61201292
2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)pentan-1-one
CID 43650344
2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylpentanoic acid
CID 61424809
N-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboxamide
CID 113222805
2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid
CID 81085268
2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid
CID 61424649
2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 61207647

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid (CID 107566402) is (2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)N1CC(C)OCC1CC)C(=O)O.
What is the InChIKey of (2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid?
The InChIKey is QXEXLQLKHWPFIL-VQXHTEKXSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-6-11(12(16)17)14-13(18)15-7-9(3)19-8-10(15)5-2/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/t9?,10?,11-/m1/s1.
What are the key properties of (2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid?
(2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107566402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).