4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid

C18H32N2O4 — CID 125148753

IUPAC4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)[C@H](C(=O)NC1CCC(C(=O)O)CC1)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C18H32N2O4/c1-11(2)16(20-9-12(3)24-13(4)10-20)17(21)19-15-7-5-14(6-8-15)18(22)23/h11-16H,5-10H2,1-4H3,(H,19,21)(H,22,23)/t12-,13-,14?,15?,16-/m1/s1
InChIKeyKPEPMSOJUZZBEL-BKAAIYKLSA-N
MW340.46 g/mol
LogP1.88
Rot. Bonds5

About 4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid

4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 125148753) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID125148753
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)[C@H](C(=O)NC1CCC(C(=O)O)CC1)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C18H32N2O4/c1-11(2)16(20-9-12(3)24-13(4)10-20)17(21)19-15-7-5-14(6-8-15)18(22)23/h11-16H,5-10H2,1-4H3,(H,19,21)(H,22,23)/t12-,13-,14?,15?,16-/m1/s1
InChIKeyKPEPMSOJUZZBEL-BKAAIYKLSA-N
XLogP1.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid
CID 119348720
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-3-methylbutanamide
CID 100630554
3-[[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]propanoic acid
CID 125151081
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butanamide
CID 129448698
2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid
CID 119358573
N-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide
CID 111101945
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-2-pyrrolidin-1-ylbutyl]butanamide
CID 98728472
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98555777
2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide
CID 60613958
1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908292
2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 110001912
(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide
CID 100842753

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid (CID 125148753) is 4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid is CC(C)[C@H](C(=O)NC1CCC(C(=O)O)CC1)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of 4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is KPEPMSOJUZZBEL-BKAAIYKLSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-11(2)16(20-9-12(3)24-13(4)10-20)17(21)19-15-7-5-14(6-8-15)18(22)23/h11-16H,5-10H2,1-4H3,(H,19,21)(H,22,23)/t12-,13-,14?,15?,16-/m1/s1.
What are the key properties of 4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid?
4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 340.46 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 125148753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).