(2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid

C15H21NO5 — CID 2334250

IUPAC(2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid
SMILESCC(C)COc1cccc(OCC(=O)N[C@H](C)C(=O)O)c1
InChIInChI=1S/C15H21NO5/c1-10(2)8-20-12-5-4-6-13(7-12)21-9-14(17)16-11(3)15(18)19/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyWVJLAWATIFDIGW-LLVKDONJSA-N
MW295.33 g/mol
LogP1.69
Rot. Bonds8

About (2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid

(2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid (PubChem CID 2334250) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is (2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid
PubChem CID2334250
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name(2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid
SMILESCC(C)COc1cccc(OCC(=O)N[C@H](C)C(=O)O)c1
InChIInChI=1S/C15H21NO5/c1-10(2)8-20-12-5-4-6-13(7-12)21-9-14(17)16-11(3)15(18)19/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyWVJLAWATIFDIGW-LLVKDONJSA-N
XLogP1.69
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate
CID 2334247
(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7722413
2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid
CID 4733202
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
2-[3-(2-methylpropoxy)anilino]propanoic acid
CID 66174540
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid
CID 43170839
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
CID 16641722
(2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid
CID 119244504
ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
CID 86689297
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid (CID 2334250) is (2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid is CC(C)COc1cccc(OCC(=O)N[C@H](C)C(=O)O)c1.
What is the InChIKey of (2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid?
The InChIKey is WVJLAWATIFDIGW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10(2)8-20-12-5-4-6-13(7-12)21-9-14(17)16-11(3)15(18)19/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid?
(2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid has a molecular weight of 295.33 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid is sourced from PubChem (CID 2334250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).