methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate

C14H19NO4 — CID 178035855

IUPACmethyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate
SMILESCOC(=O)[C@@H](NC(=O)C(C)(C)C)c1ccc(O)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)13(18)15-11(12(17)19-4)9-5-7-10(16)8-6-9/h5-8,11,16H,1-4H3,(H,15,18)/t11-/m0/s1
InChIKeyHDQNLPWVEQLBKD-NSHDSACASA-N
MW265.31 g/mol
LogP1.77
Rot. Bonds3

About methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate

methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate (PubChem CID 178035855) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate
PubChem CID178035855
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate
SMILESCOC(=O)[C@@H](NC(=O)C(C)(C)C)c1ccc(O)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)13(18)15-11(12(17)19-4)9-5-7-10(16)8-6-9/h5-8,11,16H,1-4H3,(H,15,18)/t11-/m0/s1
InChIKeyHDQNLPWVEQLBKD-NSHDSACASA-N
XLogP1.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate 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

methyl (2S)-2-(4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 2341928
methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate
CID 10125222
methyl 2-(2,2-dimethylpropanoylamino)-2-[4-(trifluoromethylsulfonyloxy)phenyl]acetate
CID 178035848
methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-[4-[(1-methylcyclopentyl)methoxy]phenyl]acetate
CID 176657258
methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate
CID 10778083
tert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate
CID 101086095
methyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate
CID 79793300
methyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate
CID 59079990
(2R)-2-(2,2-dimethylpropanoylamino)-2-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetic acid
CID 169438981
ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate
CID 93477748
methyl 2-acetamido-2-(4-chlorophenyl)acetate
CID 45100786
methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate
CID 94813092

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate?
The IUPAC name of methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate (CID 178035855) is methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate?
The canonical SMILES for methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate is COC(=O)[C@@H](NC(=O)C(C)(C)C)c1ccc(O)cc1.
What is the InChIKey of methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate?
The InChIKey is HDQNLPWVEQLBKD-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)13(18)15-11(12(17)19-4)9-5-7-10(16)8-6-9/h5-8,11,16H,1-4H3,(H,15,18)/t11-/m0/s1.
What are the key properties of methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate?
methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate has a molecular weight of 265.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 178035855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).