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

C18H18NO5- — CID 2333588

IUPAC(2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate
SMILESCc1ccc(Oc2ccc(OCC(=O)N[C@H](C)C(=O)[O-])cc2)cc1
InChIInChI=1S/C18H19NO5/c1-12-3-5-15(6-4-12)24-16-9-7-14(8-10-16)23-11-17(20)19-13(2)18(21)22/h3-10,13H,11H2,1-2H3,(H,19,20)(H,21,22)/p-1/t13-/m1/s1
InChIKeyXJWMUVBMFSSRMF-CYBMUJFWSA-M
MW328.34 g/mol
LogP1.42
Rot. Bonds7

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

(2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate (PubChem CID 2333588) has the molecular formula C18H18NO5- and a molecular weight of 328.34 g/mol. Its IUPAC name is (2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate.

Molecular Properties

Compound Name(2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate
PubChem CID2333588
Molecular FormulaC18H18NO5-
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name(2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate
SMILESCc1ccc(Oc2ccc(OCC(=O)N[C@H](C)C(=O)[O-])cc2)cc1
InChIInChI=1S/C18H19NO5/c1-12-3-5-15(6-4-12)24-16-9-7-14(8-10-16)23-11-17(20)19-13(2)18(21)22/h3-10,13H,11H2,1-2H3,(H,19,20)(H,21,22)/p-1/t13-/m1/s1
InChIKeyXJWMUVBMFSSRMF-CYBMUJFWSA-M
XLogP1.42
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 80998582
(2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate
CID 9156981
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]propanehydrazide
CID 24633512
N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 78855960
(2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate
CID 2334236
N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide
CID 65312489
2-(4-methylphenoxy)-N-[2-[[2-(4-methylphenoxy)acetyl]amino]propyl]acetamide
CID 2899982
(2R)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157049
(2S)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157045
(2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate
CID 2334247
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate?
The IUPAC name of (2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate (CID 2333588) is (2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate.
What is the SMILES notation for (2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate?
The canonical SMILES for (2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate is Cc1ccc(Oc2ccc(OCC(=O)N[C@H](C)C(=O)[O-])cc2)cc1.
What is the InChIKey of (2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate?
The InChIKey is XJWMUVBMFSSRMF-CYBMUJFWSA-M. The full InChI is InChI=1S/C18H19NO5/c1-12-3-5-15(6-4-12)24-16-9-7-14(8-10-16)23-11-17(20)19-13(2)18(21)22/h3-10,13H,11H2,1-2H3,(H,19,20)(H,21,22)/p-1/t13-/m1/s1.
What are the key properties of (2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate?
(2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate has a molecular weight of 328.34 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate is sourced from PubChem (CID 2333588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).