(2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid

C14H20N2O3 — CID 66513297

IUPAC(2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid
SMILESCc1c([C@H](N)C(=O)O)ccc(N2CCOCC2)c1C
InChIInChI=1S/C14H20N2O3/c1-9-10(2)12(16-5-7-19-8-6-16)4-3-11(9)13(15)14(17)18/h3-4,13H,5-8,15H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyIXONUEZLVDEUJU-ZDUSSCGKSA-N
MW264.32 g/mol
LogP1.22
Rot. Bonds3

About (2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid

(2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid (PubChem CID 66513297) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid
PubChem CID66513297
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid
SMILESCc1c([C@H](N)C(=O)O)ccc(N2CCOCC2)c1C
InChIInChI=1S/C14H20N2O3/c1-9-10(2)12(16-5-7-19-8-6-16)4-3-11(9)13(15)14(17)18/h3-4,13H,5-8,15H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyIXONUEZLVDEUJU-ZDUSSCGKSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic 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

(2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid
CID 66513230
3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid
CID 117115891
4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117116014
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
methyl 2-hydroxy-2-(5-methyl-2-morpholin-4-ylphenyl)acetate
CID 117417055
methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate
CID 117108710
(2S)-2-amino-N-(2-morpholin-4-ylphenyl)-2-phenylacetamide
CID 22691745
2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid
CID 23510312
2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid
CID 117108583
2-methyl-3-morpholin-4-ylbenzoate
CID 7148425
lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
CID 159941307
2-hydroxy-2-methyl-1-(2-methyl-3,4-dimorpholin-4-ylphenyl)propan-1-one
CID 68739637

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid (CID 66513297) is (2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid is Cc1c([C@H](N)C(=O)O)ccc(N2CCOCC2)c1C.
What is the InChIKey of (2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid?
The InChIKey is IXONUEZLVDEUJU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-10(2)12(16-5-7-19-8-6-16)4-3-11(9)13(15)14(17)18/h3-4,13H,5-8,15H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid?
(2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid is sourced from PubChem (CID 66513297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).