2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid

C13H24N2O4 — CID 66435406

IUPAC2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCCCCN(CC)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-3-5-6-14(4-2)13(18)15-7-8-19-11(10-15)9-12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyYDFWARUHZJOHJF-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.40
Rot. Bonds6

About 2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid

2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66435406) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
PubChem CID66435406
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCCCCN(CC)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-3-5-6-14(4-2)13(18)15-7-8-19-11(10-15)9-12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyYDFWARUHZJOHJF-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 102995442
2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433326
2-[4-[cyclohexyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433858
2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid
CID 61203406
2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid
CID 119247634
2-[4-[2-methoxyethyl(2-methylpropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433518
2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid
CID 119248222
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid
CID 79813878

Frequently Asked Questions

What is the IUPAC name of 2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid (CID 66435406) is 2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid is CCCCN(CC)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is YDFWARUHZJOHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-5-6-14(4-2)13(18)15-7-8-19-11(10-15)9-12(16)17/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).