2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid

C21H33N3O4 — CID 122005568

IUPAC2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCc1ccc(C(C)(C)CNC(=O)N2CCOC(CN(C)CC(=O)O)C2)cc1
InChIInChI=1S/C21H33N3O4/c1-5-16-6-8-17(9-7-16)21(2,3)15-22-20(27)24-10-11-28-18(13-24)12-23(4)14-19(25)26/h6-9,18H,5,10-15H2,1-4H3,(H,22,27)(H,25,26)
InChIKeySSUAQUHUFDWPRI-UHFFFAOYSA-N
MW391.51 g/mol
LogP1.95
Rot. Bonds8

About 2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122005568) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is 2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122005568
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC Name2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCc1ccc(C(C)(C)CNC(=O)N2CCOC(CN(C)CC(=O)O)C2)cc1
InChIInChI=1S/C21H33N3O4/c1-5-16-6-8-17(9-7-16)21(2,3)15-22-20(27)24-10-11-28-18(13-24)12-23(4)14-19(25)26/h6-9,18H,5,10-15H2,1-4H3,(H,22,27)(H,25,26)
InChIKeySSUAQUHUFDWPRI-UHFFFAOYSA-N
XLogP1.95
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606955
2-[[4-[[2-(2-chlorophenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122000631
2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122088781
2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122089090
2-[[4-[(4-ethyl-3-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122088532
2-[[4-[(4,4-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122008099
2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122007892
2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122015392
2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122073549
2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122007160
2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 129330308
2-[[4-[2-(2-fluorophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966246

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122005568) is 2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is CCc1ccc(C(C)(C)CNC(=O)N2CCOC(CN(C)CC(=O)O)C2)cc1.
What is the InChIKey of 2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is SSUAQUHUFDWPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-5-16-6-8-17(9-7-16)21(2,3)15-22-20(27)24-10-11-28-18(13-24)12-23(4)14-19(25)26/h6-9,18H,5,10-15H2,1-4H3,(H,22,27)(H,25,26).
What are the key properties of 2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 391.51 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122005568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).