(2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid

C14H19NO5 — CID 119244504

IUPAC(2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid
SMILESCCCOc1ccc(OCC(=O)N[C@H](C)C(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-3-8-19-11-4-6-12(7-5-11)20-9-13(16)15-10(2)14(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyBWBODVUSVLDCQB-SNVBAGLBSA-N
MW281.31 g/mol
LogP1.44
Rot. Bonds8

About (2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid

(2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid (PubChem CID 119244504) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid
PubChem CID119244504
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid
SMILESCCCOc1ccc(OCC(=O)N[C@H](C)C(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-3-8-19-11-4-6-12(7-5-11)20-9-13(16)15-10(2)14(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyBWBODVUSVLDCQB-SNVBAGLBSA-N
XLogP1.44
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid
CID 4733202
(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-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947
(2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 119943040
(2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid
CID 119372492
(2S)-2-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 55059835
2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide
CID 56807568
2-[[2-(4-butoxyphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 4732780
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid
CID 43170839
(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7722413
2-[4-(4-fluorophenoxy)butanoylamino]propanoic acid
CID 43355187

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid (CID 119244504) is (2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid is CCCOc1ccc(OCC(=O)N[C@H](C)C(=O)O)cc1.
What is the InChIKey of (2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid?
The InChIKey is BWBODVUSVLDCQB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19NO5/c1-3-8-19-11-4-6-12(7-5-11)20-9-13(16)15-10(2)14(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid?
(2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 119244504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).