(2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid

C17H26N2O3 — CID 97203147

IUPAC(2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
SMILESCc1cccc(C)c1[C@@H](C(=O)O)N(C)CCN1CCOCC1
InChIInChI=1S/C17H26N2O3/c1-13-5-4-6-14(2)15(13)16(17(20)21)18(3)7-8-19-9-11-22-12-10-19/h4-6,16H,7-12H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyWOVQBSSCSCTZDR-INIZCTEOSA-N
MW306.41 g/mol
LogP1.69
Rot. Bonds6

About (2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid

(2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid (PubChem CID 97203147) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name(2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
PubChem CID97203147
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
SMILESCc1cccc(C)c1[C@@H](C(=O)O)N(C)CCN1CCOCC1
InChIInChI=1S/C17H26N2O3/c1-13-5-4-6-14(2)15(13)16(17(20)21)18(3)7-8-19-9-11-22-12-10-19/h4-6,16H,7-12H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyWOVQBSSCSCTZDR-INIZCTEOSA-N
XLogP1.69
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
CID 72904648
(2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
CID 97207749
N-methyl-2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110753270
N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride
CID 54600904
ethyl (2R)-2-[methyl(2-morpholin-4-ylethyl)amino]propanoate
CID 95623746
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
CID 100794305
(2S)-2-(4-methoxy-2-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid
CID 97200558
3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid
CID 82320048
(2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 97067662
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
3-methyl-2-(3-morpholin-4-ylpropylamino)benzoic acid
CID 107111875

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid?
The IUPAC name of (2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid (CID 97203147) is (2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid.
What is the SMILES notation for (2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid?
The canonical SMILES for (2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid is Cc1cccc(C)c1[C@@H](C(=O)O)N(C)CCN1CCOCC1.
What is the InChIKey of (2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid?
The InChIKey is WOVQBSSCSCTZDR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-5-4-6-14(2)15(13)16(17(20)21)18(3)7-8-19-9-11-22-12-10-19/h4-6,16H,7-12H2,1-3H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid?
(2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid has a molecular weight of 306.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid is sourced from PubChem (CID 97203147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).