3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid

C19H35N3O4 — CID 122001444

IUPAC3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)C(=O)O
InChIInChI=1S/C19H35N3O4/c1-15(16(23)24)12-21(4)17(25)20-13-19(8-6-5-7-9-19)22-10-11-26-18(2,3)14-22/h15H,5-14H2,1-4H3,(H,20,25)(H,23,24)
InChIKeyLDHKYWGIPGRFDK-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.16
Rot. Bonds6

About 3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid

3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 122001444) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID122001444
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Name3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)C(=O)O
InChIInChI=1S/C19H35N3O4/c1-15(16(23)24)12-21(4)17(25)20-13-19(8-6-5-7-9-19)22-10-11-26-18(2,3)14-22/h15H,5-14H2,1-4H3,(H,20,25)(H,23,24)
InChIKeyLDHKYWGIPGRFDK-UHFFFAOYSA-N
XLogP2.16
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid with MolForge

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Related Compounds

1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119883003
(2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide
CID 119882992
N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2-(tetrazol-1-yl)acetamide
CID 56784186
N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2-ethylbenzamide
CID 138058577
2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646616
2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid
CID 122012432
3-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122010962
3-[1,4-dioxaspiro[4.4]nonan-3-ylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 122008899
3-[2-(1-fluorocyclobutyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122014323
(2R)-2-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 51715596
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122010799

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid (CID 122001444) is 3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)C(=O)O.
What is the InChIKey of 3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is LDHKYWGIPGRFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-15(16(23)24)12-21(4)17(25)20-13-19(8-6-5-7-9-19)22-10-11-26-18(2,3)14-22/h15H,5-14H2,1-4H3,(H,20,25)(H,23,24).
What are the key properties of 3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid?
3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 369.51 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122001444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).