methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate

C14H19NO4 — CID 103879142

IUPACmethyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H19NO4/c1-9(2)10-4-6-11(7-5-10)13(17)15-8-12(16)14(18)19-3/h4-7,9,12,16H,8H2,1-3H3,(H,15,17)
InChIKeyPDUXTOOCWDDTEP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.07
Rot. Bonds5

About methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate

methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate (PubChem CID 103879142) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate
PubChem CID103879142
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H19NO4/c1-9(2)10-4-6-11(7-5-10)13(17)15-8-12(16)14(18)19-3/h4-7,9,12,16H,8H2,1-3H3,(H,15,17)
InChIKeyPDUXTOOCWDDTEP-UHFFFAOYSA-N
XLogP1.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
methyl 2-hydroxy-3-(pyridine-4-carbonylamino)propanoate
CID 103879367
N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide
CID 103770174
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732
N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide
CID 66090894
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate
CID 164863189
methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107211629
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide
CID 119526277
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
CID 107260916
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate (CID 103879142) is methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate is COC(=O)C(O)CNC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate?
The InChIKey is PDUXTOOCWDDTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)10-4-6-11(7-5-10)13(17)15-8-12(16)14(18)19-3/h4-7,9,12,16H,8H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate?
methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate has a molecular weight of 265.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate is sourced from PubChem (CID 103879142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).