2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid

C18H33N3O4 — CID 122012720

IUPAC2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCC1CCCC(CNC(=O)N2CCOC(CN(C)CC(=O)O)C2)C1C
InChIInChI=1S/C18H33N3O4/c1-13-5-4-6-15(14(13)2)9-19-18(24)21-7-8-25-16(11-21)10-20(3)12-17(22)23/h13-16H,4-12H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyUOOQXQWIOMZDON-UHFFFAOYSA-N
MW355.48 g/mol
LogP1.49
Rot. Bonds6

About 2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122012720) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122012720
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Name2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCC1CCCC(CNC(=O)N2CCOC(CN(C)CC(=O)O)C2)C1C
InChIInChI=1S/C18H33N3O4/c1-13-5-4-6-15(14(13)2)9-19-18(24)21-7-8-25-16(11-21)10-20(3)12-17(22)23/h13-16H,4-12H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyUOOQXQWIOMZDON-UHFFFAOYSA-N
XLogP1.49
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid with MolForge

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Related Compounds

2-[[4-[(4,4-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122008099
2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122007160
4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid
CID 107419874
2-[methyl-[[4-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122006153
2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122010997
2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide
CID 128968365
2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122007892
2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324175
2-[[(2S)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324174
2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122015392
2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122005568
2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122073549

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122012720) is 2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is CC1CCCC(CNC(=O)N2CCOC(CN(C)CC(=O)O)C2)C1C.
What is the InChIKey of 2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is UOOQXQWIOMZDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-13-5-4-6-15(14(13)2)9-19-18(24)21-7-8-25-16(11-21)10-20(3)12-17(22)23/h13-16H,4-12H2,1-3H3,(H,19,24)(H,22,23).
What are the key properties of 2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 355.48 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122012720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).