2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid

C17H26N2O4 — CID 166254157

IUPAC2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid
SMILESCc1cccc(C(NCC(O)CN2CCOCC2)C(=O)O)c1C
InChIInChI=1S/C17H26N2O4/c1-12-4-3-5-15(13(12)2)16(17(21)22)18-10-14(20)11-19-6-8-23-9-7-19/h3-5,14,16,18,20H,6-11H2,1-2H3,(H,21,22)
InChIKeyVESKYMFESBXCBE-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.71
Rot. Bonds7

About 2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid

2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid (PubChem CID 166254157) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid
PubChem CID166254157
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid
SMILESCc1cccc(C(NCC(O)CN2CCOCC2)C(=O)O)c1C
InChIInChI=1S/C17H26N2O4/c1-12-4-3-5-15(13(12)2)16(17(21)22)18-10-14(20)11-19-6-8-23-9-7-19/h3-5,14,16,18,20H,6-11H2,1-2H3,(H,21,22)
InChIKeyVESKYMFESBXCBE-UHFFFAOYSA-N
XLogP0.71
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 16798644
3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid
CID 64526750
2-[[1-(2-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-phenylethanol
CID 146081346
3-hydroxy-4-morpholin-4-ylbutanoic acid
CID 79006775
1-[(6-methyl-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 10966962
1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 65468625
2-acetamido-2-(2,3-dimethylphenyl)acetic acid
CID 63701891
1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
CID 126839949
1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916464
2-(2,6-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)acetamide
CID 110880574
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 78833549

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid?
The IUPAC name of 2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid (CID 166254157) is 2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid?
The canonical SMILES for 2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid is Cc1cccc(C(NCC(O)CN2CCOCC2)C(=O)O)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid?
The InChIKey is VESKYMFESBXCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12-4-3-5-15(13(12)2)16(17(21)22)18-10-14(20)11-19-6-8-23-9-7-19/h3-5,14,16,18,20H,6-11H2,1-2H3,(H,21,22).
What are the key properties of 2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid?
2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid has a molecular weight of 322.41 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid is sourced from PubChem (CID 166254157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).