2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid

C14H20N2O3 — CID 18957404

IUPAC2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid
SMILESCc1cc(C(C(=O)O)N2CCOCC2)cc(C)c1N
InChIInChI=1S/C14H20N2O3/c1-9-7-11(8-10(2)12(9)15)13(14(17)18)16-3-5-19-6-4-16/h7-8,13H,3-6,15H2,1-2H3,(H,17,18)
InChIKeyKSPDHCTWDYHQLY-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.34
Rot. Bonds3

About 2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid

2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid (PubChem CID 18957404) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid
PubChem CID18957404
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid
SMILESCc1cc(C(C(=O)O)N2CCOCC2)cc(C)c1N
InChIInChI=1S/C14H20N2O3/c1-9-7-11(8-10(2)12(9)15)13(14(17)18)16-3-5-19-6-4-16/h7-8,13H,3-6,15H2,1-2H3,(H,17,18)
InChIKeyKSPDHCTWDYHQLY-UHFFFAOYSA-N
XLogP1.34
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid
CID 46996116
2-(7-chloro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetic acid
CID 43803331
2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid
CID 84751366
(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid
CID 27378601
2-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylacetic acid
CID 81447698
ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate
CID 124585393
2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid
CID 79981052
2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid
CID 84742598
(2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
CID 94693944
2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid
CID 54595982
2-morpholin-4-yl-2-pyridin-4-ylacetamide
CID 25219323

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid?
The IUPAC name of 2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid (CID 18957404) is 2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid.
What is the SMILES notation for 2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid?
The canonical SMILES for 2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid is Cc1cc(C(C(=O)O)N2CCOCC2)cc(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid?
The InChIKey is KSPDHCTWDYHQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-7-11(8-10(2)12(9)15)13(14(17)18)16-3-5-19-6-4-16/h7-8,13H,3-6,15H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid?
2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid is sourced from PubChem (CID 18957404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).