2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid

C16H28N2O4 — CID 129324175

IUPAC2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C[C@@H]1CN(C(=O)CC2CCCCC2)CCO1
InChIInChI=1S/C16H28N2O4/c1-17(12-16(20)21)10-14-11-18(7-8-22-14)15(19)9-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyJPWMOWOKOPVONL-CQSZACIVSA-N
MW312.41 g/mol
LogP1.20
Rot. Bonds6

About 2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid

2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 129324175) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID129324175
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C[C@@H]1CN(C(=O)CC2CCCCC2)CCO1
InChIInChI=1S/C16H28N2O4/c1-17(12-16(20)21)10-14-11-18(7-8-22-14)15(19)9-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyJPWMOWOKOPVONL-CQSZACIVSA-N
XLogP1.20
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(2R)-4-(2-cyclohexylacetyl)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-[[(2S)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324174
1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 128992624
1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 129343529
1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 129343530
1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 129343528
2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 129330308
1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone
CID 81210447
2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966724
2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129476565
2-[[4-[(4,4-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122008099
1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone
CID 104922136
2-[[4-[2-(2-bromophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128973419

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid (CID 129324175) is 2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)C[C@@H]1CN(C(=O)CC2CCCCC2)CCO1.
What is the InChIKey of 2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is JPWMOWOKOPVONL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-17(12-16(20)21)10-14-11-18(7-8-22-14)15(19)9-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 312.41 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 129324175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).