methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate

C15H21NO4 — CID 171833084

IUPACmethyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate
SMILESCOC(=O)C(CCO)NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-15(2,11-7-5-4-6-8-11)14(19)16-12(9-10-17)13(18)20-3/h4-8,12,17H,9-10H2,1-3H3,(H,16,19)
InChIKeyWEJGFWRMBKJPPH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.00
Rot. Bonds6

About methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate

methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate (PubChem CID 171833084) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate
PubChem CID171833084
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate
SMILESCOC(=O)C(CCO)NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-15(2,11-7-5-4-6-8-11)14(19)16-12(9-10-17)13(18)20-3/h4-8,12,17H,9-10H2,1-3H3,(H,16,19)
InChIKeyWEJGFWRMBKJPPH-UHFFFAOYSA-N
XLogP1.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid
CID 81076781
methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate
CID 103954829
N-methoxy-2-methyl-2-phenylpropanamide
CID 60717949
N-(1-aminopropan-2-yl)-2-methyl-2-phenylpropanamide
CID 63731541
benzyl (2S)-4-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 18639965
N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
CID 106356684
N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide
CID 106156304
2-(4-aminophenyl)-N-(4-hydroxybutan-2-yl)-2-methylpropanamide
CID 83176249
2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybutanoic acid
CID 80555164
(2R)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80751613
2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
CID 64991894
N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
CID 106355073

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate?
The IUPAC name of methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate (CID 171833084) is methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate.
What is the SMILES notation for methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate?
The canonical SMILES for methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate is COC(=O)C(CCO)NC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate?
The InChIKey is WEJGFWRMBKJPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,11-7-5-4-6-8-11)14(19)16-12(9-10-17)13(18)20-3/h4-8,12,17H,9-10H2,1-3H3,(H,16,19).
What are the key properties of methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate?
methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate has a molecular weight of 279.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate is sourced from PubChem (CID 171833084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).