2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid

C20H28N2O5 — CID 129473649

IUPAC2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C[C@@H]1CN(C(=O)c2cccc(OC3CCCC3)c2)CCO1
InChIInChI=1S/C20H28N2O5/c1-21(14-19(23)24)12-18-13-22(9-10-26-18)20(25)15-5-4-8-17(11-15)27-16-6-2-3-7-16/h4-5,8,11,16,18H,2-3,6-7,9-10,12-14H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyAJCQIRJNBHXMFO-GOSISDBHSA-N
MW376.45 g/mol
LogP1.87
Rot. Bonds7

About 2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid

2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 129473649) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID129473649
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C[C@@H]1CN(C(=O)c2cccc(OC3CCCC3)c2)CCO1
InChIInChI=1S/C20H28N2O5/c1-21(14-19(23)24)12-18-13-22(9-10-26-18)20(25)15-5-4-8-17(11-15)27-16-6-2-3-7-16/h4-5,8,11,16,18H,2-3,6-7,9-10,12-14H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyAJCQIRJNBHXMFO-GOSISDBHSA-N
XLogP1.87
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129476565
3-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]benzonitrile
CID 129343097
2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid
CID 119171827
2-[[4-[(2-cyclopentyloxyphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043587
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248791
(3-cyclopentyloxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540886
2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid
CID 129473594
2-[[4-(2,4-dichloro-5-fluorobenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128992651
2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129343303
2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606962
2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043592
2-[[4-(5-chlorothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128972799

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid (CID 129473649) is 2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)C[C@@H]1CN(C(=O)c2cccc(OC3CCCC3)c2)CCO1.
What is the InChIKey of 2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is AJCQIRJNBHXMFO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-21(14-19(23)24)12-18-13-22(9-10-26-18)20(25)15-5-4-8-17(11-15)27-16-6-2-3-7-16/h4-5,8,11,16,18H,2-3,6-7,9-10,12-14H2,1H3,(H,23,24)/t18-/m1/s1.
What are the key properties of 2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 376.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 129473649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).