tert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate

C16H23NO4 — CID 80998582

IUPACtert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate
SMILESCc1ccc(OCC(=O)N[C@H](C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-11-6-8-13(9-7-11)20-10-14(18)17-12(2)15(19)21-16(3,4)5/h6-9,12H,10H2,1-5H3,(H,17,18)/t12-/m1/s1
InChIKeyLDHBVGQCHCRNOJ-GFCCVEGCSA-N
MW293.36 g/mol
LogP2.22
Rot. Bonds5

About tert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate

tert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate (PubChem CID 80998582) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate
PubChem CID80998582
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate
SMILESCc1ccc(OCC(=O)N[C@H](C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-11-6-8-13(9-7-11)20-10-14(18)17-12(2)15(19)21-16(3,4)5/h6-9,12H,10H2,1-5H3,(H,17,18)/t12-/m1/s1
InChIKeyLDHBVGQCHCRNOJ-GFCCVEGCSA-N
XLogP2.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate
CID 2333588
N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide
CID 65312489
ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate
CID 95762944
2-(4-methylphenoxy)-N-[2-[[2-(4-methylphenoxy)acetyl]amino]propyl]acetamide
CID 2899982
2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
CID 16641722
N-(1-amino-4-methylpentan-2-yl)-2-(4-methylphenoxy)acetamide
CID 119585848
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
methyl 2-[4-(4-methylphenoxy)butanoylamino]propanoate
CID 60638192
(2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid
CID 9157303
(2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate
CID 9156981
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 32564607
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 3325652

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate (CID 80998582) is tert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate is Cc1ccc(OCC(=O)N[C@H](C)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate?
The InChIKey is LDHBVGQCHCRNOJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11-6-8-13(9-7-11)20-10-14(18)17-12(2)15(19)21-16(3,4)5/h6-9,12H,10H2,1-5H3,(H,17,18)/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate?
tert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate has a molecular weight of 293.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate is sourced from PubChem (CID 80998582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).