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

C12H15NO5 — CID 7722413

IUPAC(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid
SMILESCOc1cccc(OCC(=O)N[C@H](C)C(=O)O)c1
InChIInChI=1S/C12H15NO5/c1-8(12(15)16)13-11(14)7-18-10-5-3-4-9(6-10)17-2/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyYIDDLEMRHMRFAZ-MRVPVSSYSA-N
MW253.25 g/mol
LogP0.66
Rot. Bonds6

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

(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid (PubChem CID 7722413) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is (2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid
PubChem CID7722413
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid
SMILESCOc1cccc(OCC(=O)N[C@H](C)C(=O)O)c1
InChIInChI=1S/C12H15NO5/c1-8(12(15)16)13-11(14)7-18-10-5-3-4-9(6-10)17-2/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyYIDDLEMRHMRFAZ-MRVPVSSYSA-N
XLogP0.66
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid
CID 2334250
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid
CID 4733202
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 78760781
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid
CID 43170839
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 746811
2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid
CID 53264145
2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid
CID 16642065
2-(3-methoxyphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112779282

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid (CID 7722413) is (2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid is COc1cccc(OCC(=O)N[C@H](C)C(=O)O)c1.
What is the InChIKey of (2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid?
The InChIKey is YIDDLEMRHMRFAZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-8(12(15)16)13-11(14)7-18-10-5-3-4-9(6-10)17-2/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid?
(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid has a molecular weight of 253.25 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 7722413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).