2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid

C18H26N2O5 — CID 129473594

IUPAC2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid
SMILESCN(CC(=O)O)C[C@@H]1CN(C(=O)CCCOc2ccccc2)CCO1
InChIInChI=1S/C18H26N2O5/c1-19(14-18(22)23)12-16-13-20(9-11-25-16)17(21)8-5-10-24-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyABSACOXHBUIVNY-MRXNPFEDSA-N
MW350.42 g/mol
LogP1.09
Rot. Bonds9

About 2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid

2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid (PubChem CID 129473594) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid
PubChem CID129473594
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid
SMILESCN(CC(=O)O)C[C@@H]1CN(C(=O)CCCOc2ccccc2)CCO1
InChIInChI=1S/C18H26N2O5/c1-19(14-18(22)23)12-16-13-20(9-11-25-16)17(21)8-5-10-24-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyABSACOXHBUIVNY-MRXNPFEDSA-N
XLogP1.09
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 129330308
2-[[4-[2-(2-bromophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128973419
2-[[4-[2-(2-fluorophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966246
2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120607008
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide
CID 110741577
1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110364018
2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 129475210
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110326763
2-[[4-[3-(3,5-dimethylphenoxy)propyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122082914
2-[methyl-[[(2R)-4-(2-pyridin-3-yloxyacetyl)morpholin-2-yl]methyl]amino]acetamide
CID 129477899
2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129473649
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid (CID 129473594) is 2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid is CN(CC(=O)O)C[C@@H]1CN(C(=O)CCCOc2ccccc2)CCO1.
What is the InChIKey of 2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid?
The InChIKey is ABSACOXHBUIVNY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-19(14-18(22)23)12-16-13-20(9-11-25-16)17(21)8-5-10-24-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,22,23)/t16-/m1/s1.
What are the key properties of 2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid?
2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid has a molecular weight of 350.42 g/mol, XLogP of 1.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid is sourced from PubChem (CID 129473594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).