(2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate

C16H22NO4- — CID 9156981

IUPAC(2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate
SMILESCCC(C)(C)c1ccc(OCC(=O)N[C@H](C)C(=O)[O-])cc1
InChIInChI=1S/C16H23NO4/c1-5-16(3,4)12-6-8-13(9-7-12)21-10-14(18)17-11(2)15(19)20/h6-9,11H,5,10H2,1-4H3,(H,17,18)(H,19,20)/p-1/t11-/m1/s1
InChIKeyUGSLYMDQLLUBQF-LLVKDONJSA-M
MW292.36 g/mol
LogP1.01
Rot. Bonds7

About (2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate

(2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate (PubChem CID 9156981) has the molecular formula C16H22NO4- and a molecular weight of 292.36 g/mol. Its IUPAC name is (2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate.

Molecular Properties

Compound Name(2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate
PubChem CID9156981
Molecular FormulaC16H22NO4-
Molecular Weight292.36 g/mol
Exact Mass292.16
IUPAC Name(2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate
SMILESCCC(C)(C)c1ccc(OCC(=O)N[C@H](C)C(=O)[O-])cc1
InChIInChI=1S/C16H23NO4/c1-5-16(3,4)12-6-8-13(9-7-12)21-10-14(18)17-11(2)15(19)20/h6-9,11H,5,10H2,1-4H3,(H,17,18)(H,19,20)/p-1/t11-/m1/s1
InChIKeyUGSLYMDQLLUBQF-LLVKDONJSA-M
XLogP1.01
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate
CID 9157092
(2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate
CID 2333588
2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
CID 16641722
N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide
CID 17093425
2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 53283030
N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093191
N-hexadecyl-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093175
N-(4-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093193
tert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 80998582
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 46761744
(2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate
CID 2334247
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 17093314

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate?
The IUPAC name of (2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate (CID 9156981) is (2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate.
What is the SMILES notation for (2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate?
The canonical SMILES for (2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate is CCC(C)(C)c1ccc(OCC(=O)N[C@H](C)C(=O)[O-])cc1.
What is the InChIKey of (2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate?
The InChIKey is UGSLYMDQLLUBQF-LLVKDONJSA-M. The full InChI is InChI=1S/C16H23NO4/c1-5-16(3,4)12-6-8-13(9-7-12)21-10-14(18)17-11(2)15(19)20/h6-9,11H,5,10H2,1-4H3,(H,17,18)(H,19,20)/p-1/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate?
(2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate has a molecular weight of 292.36 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate is sourced from PubChem (CID 9156981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).