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

C12H19N3O4 — CID 66433326

IUPAC2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCCN(CCC#N)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H19N3O4/c1-2-14(5-3-4-13)12(18)15-6-7-19-10(9-15)8-11(16)17/h10H,2-3,5-9H2,1H3,(H,16,17)
InChIKeyAMUFXVSRHPFELM-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.52
Rot. Bonds5

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

2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66433326) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
PubChem CID66433326
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCCN(CCC#N)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H19N3O4/c1-2-14(5-3-4-13)12(18)15-6-7-19-10(9-15)8-11(16)17/h10H,2-3,5-9H2,1H3,(H,16,17)
InChIKeyAMUFXVSRHPFELM-UHFFFAOYSA-N
XLogP0.52
TPSA93.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435406
2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 102995442
2-[4-[cyclohexyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433858
2-[4-[2-methoxyethyl(2-methylpropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433518
2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid
CID 66435629
2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid
CID 61203406
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 79283600
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[4-(cyanomethyl)morpholin-2-yl]acetic acid
CID 66435228

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid (CID 66433326) is 2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid is CCN(CCC#N)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is AMUFXVSRHPFELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-14(5-3-4-13)12(18)15-6-7-19-10(9-15)8-11(16)17/h10H,2-3,5-9H2,1H3,(H,16,17).
What are the key properties of 2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 269.30 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).