methyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate

C16H23NO4 — CID 129358755

IUPACmethyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
SMILESCOC(=O)[C@@](C)(O)CNC(=O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H23NO4/c1-10-6-11(2)13(12(3)7-10)8-14(18)17-9-16(4,20)15(19)21-5/h6-7,20H,8-9H2,1-5H3,(H,17,18)/t16-/m0/s1
InChIKeyUOLQZFCCWMPFOB-INIZCTEOSA-N
MW293.36 g/mol
LogP1.19
Rot. Bonds5

About methyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate

methyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate (PubChem CID 129358755) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
PubChem CID129358755
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
SMILESCOC(=O)[C@@](C)(O)CNC(=O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H23NO4/c1-10-6-11(2)13(12(3)7-10)8-14(18)17-9-16(4,20)15(19)21-5/h6-7,20H,8-9H2,1-5H3,(H,17,18)/t16-/m0/s1
InChIKeyUOLQZFCCWMPFOB-INIZCTEOSA-N
XLogP1.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
CID 15767417
N-hydroxy-2-(2,4,6-trimethylphenyl)acetamide
CID 139860051
methyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
CID 15767416
2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate
CID 86787902
N-propan-2-yl-2-(2,4,6-trimethylphenyl)acetamide
CID 110767844
3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 120687906
N',N'-dimethyl-2-(2,4,6-trimethylphenyl)acetohydrazide
CID 116847434
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide
CID 122159315
2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid
CID 166380585
methyl 3-(4-bromo-2-methylanilino)-2-hydroxy-2-methylpropanoate
CID 104643651
2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 120528979
methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate
CID 122146105

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate (CID 129358755) is methyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate is COC(=O)[C@@](C)(O)CNC(=O)Cc1c(C)cc(C)cc1C.
What is the InChIKey of methyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate?
The InChIKey is UOLQZFCCWMPFOB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23NO4/c1-10-6-11(2)13(12(3)7-10)8-14(18)17-9-16(4,20)15(19)21-5/h6-7,20H,8-9H2,1-5H3,(H,17,18)/t16-/m0/s1.
What are the key properties of methyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate?
methyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate has a molecular weight of 293.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate is sourced from PubChem (CID 129358755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).