methyl 2-[(4-tert-butylbenzoyl)amino]propanoate

C15H21NO3 — CID 2918890

IUPACmethyl 2-[(4-tert-butylbenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-10(14(18)19-5)16-13(17)11-6-8-12(9-7-11)15(2,3)4/h6-10H,1-5H3,(H,16,17)
InChIKeyUHTAZTXXOJBMPG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.28
Rot. Bonds3

About methyl 2-[(4-tert-butylbenzoyl)amino]propanoate

methyl 2-[(4-tert-butylbenzoyl)amino]propanoate (PubChem CID 2918890) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[(4-tert-butylbenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-tert-butylbenzoyl)amino]propanoate
PubChem CID2918890
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-[(4-tert-butylbenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-10(14(18)19-5)16-13(17)11-6-8-12(9-7-11)15(2,3)4/h6-10H,1-5H3,(H,16,17)
InChIKeyUHTAZTXXOJBMPG-UHFFFAOYSA-N
XLogP2.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Hippuric Acid
CID 464
N-benzoylglycinate
CID 4402710
2-Methylhippuric Acid
CID 91637
Benzamide, 4-(1,1-dimethylethyl)-N-(2-(4-morpholinyl)ethyl)-
CID 690446
Methyl hippurate
CID 14566
Hippuric acid, monosodium salt
CID 516953
3-Methylhippuric Acid
CID 99223
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
2-[(4-Tert-butylphenyl)formamido]acetic acid
CID 703947
Ethyl Hippurate
CID 226558
(2S)-3-methyl-2-(phenylformamido)butanoic acid
CID 730290
Glycine, N-(2-fluorobenzoyl)-, methyl ester
CID 531413

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-tert-butylbenzoyl)amino]propanoate?
The IUPAC name of methyl 2-[(4-tert-butylbenzoyl)amino]propanoate (CID 2918890) is methyl 2-[(4-tert-butylbenzoyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(4-tert-butylbenzoyl)amino]propanoate?
The canonical SMILES for methyl 2-[(4-tert-butylbenzoyl)amino]propanoate is COC(=O)C(C)NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of methyl 2-[(4-tert-butylbenzoyl)amino]propanoate?
The InChIKey is UHTAZTXXOJBMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(14(18)19-5)16-13(17)11-6-8-12(9-7-11)15(2,3)4/h6-10H,1-5H3,(H,16,17).
What are the key properties of methyl 2-[(4-tert-butylbenzoyl)amino]propanoate?
methyl 2-[(4-tert-butylbenzoyl)amino]propanoate has a molecular weight of 263.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-tert-butylbenzoyl)amino]propanoate is sourced from PubChem (CID 2918890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).