2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid

C21H30N2O4 — CID 129476565

IUPAC2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C[C@H]1CN(C(=O)c2ccc(C3CCCCC3)cc2)CCO1
InChIInChI=1S/C21H30N2O4/c1-22(15-20(24)25)13-19-14-23(11-12-27-19)21(26)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h7-10,16,19H,2-6,11-15H2,1H3,(H,24,25)/t19-/m0/s1
InChIKeyRYCFOQHQNWRBPA-IBGZPJMESA-N
MW374.48 g/mol
LogP2.59
Rot. Bonds6

About 2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid

2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 129476565) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID129476565
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C[C@H]1CN(C(=O)c2ccc(C3CCCCC3)cc2)CCO1
InChIInChI=1S/C21H30N2O4/c1-22(15-20(24)25)13-19-14-23(11-12-27-19)21(26)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h7-10,16,19H,2-6,11-15H2,1H3,(H,24,25)/t19-/m0/s1
InChIKeyRYCFOQHQNWRBPA-IBGZPJMESA-N
XLogP2.59
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129473649
2-[[4-(5-chlorothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128972799
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-[[(2S)-4-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129346778
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330
2-[[4-(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120607006
2-[[4-(2,4-dichloro-5-fluorobenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128992651
2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 129335184
2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129343303
2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129476430
2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid (CID 129476565) is 2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)C[C@H]1CN(C(=O)c2ccc(C3CCCCC3)cc2)CCO1.
What is the InChIKey of 2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is RYCFOQHQNWRBPA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H30N2O4/c1-22(15-20(24)25)13-19-14-23(11-12-27-19)21(26)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h7-10,16,19H,2-6,11-15H2,1H3,(H,24,25)/t19-/m0/s1.
What are the key properties of 2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 374.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 129476565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).