ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate

C15H21NO3 — CID 15061670

IUPACethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
SMILESCCOC(=O)C(NC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C15H21NO3/c1-4-19-15(18)14(11(2)3)16-13(17)10-12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3,(H,16,17)
InChIKeyWTPSLKUXEZGJFQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.93
Rot. Bonds6

About ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate

ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate (PubChem CID 15061670) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
PubChem CID15061670
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
SMILESCCOC(=O)C(NC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C15H21NO3/c1-4-19-15(18)14(11(2)3)16-13(17)10-12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3,(H,16,17)
InChIKeyWTPSLKUXEZGJFQ-UHFFFAOYSA-N
XLogP1.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate with MolForge

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Related Compounds

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573103
cyanomethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 42903357
[2-(carbamoylamino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573092
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 18272552
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573256
(4-bromophenyl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848053
ethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate
CID 102039959
(3-bromophenyl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573218
(4,6-diamino-1,3,5-triazin-2-yl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848347
ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 171703945
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848337
(4-acetamidophenyl) 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 51152582

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate?
The IUPAC name of ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate (CID 15061670) is ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate.
What is the SMILES notation for ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate?
The canonical SMILES for ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate is CCOC(=O)C(NC(=O)Cc1ccccc1)C(C)C.
What is the InChIKey of ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate?
The InChIKey is WTPSLKUXEZGJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-19-15(18)14(11(2)3)16-13(17)10-12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3,(H,16,17).
What are the key properties of ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate?
ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate has a molecular weight of 263.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate is sourced from PubChem (CID 15061670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).