2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid

C14H19NO4 — CID 119225488

IUPAC2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
SMILESCC(C)Oc1ccccc1CC(=O)NC(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-9(2)19-12-7-5-4-6-11(12)8-13(16)15-10(3)14(17)18/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyYGOYBTOFSSDVOY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.61
Rot. Bonds6

About 2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid

2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid (PubChem CID 119225488) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
PubChem CID119225488
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
SMILESCC(C)Oc1ccccc1CC(=O)NC(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-9(2)19-12-7-5-4-6-11(12)8-13(16)15-10(3)14(17)18/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyYGOYBTOFSSDVOY-UHFFFAOYSA-N
XLogP1.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119225812
2-[(2-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 54959628
(2R)-4-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119364391
2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119218421
(2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid
CID 120526942
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
2-[[2-(2-ethylphenoxy)-2-phenylacetyl]amino]propanoic acid
CID 119348591
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43232563
methyl (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]propanoate
CID 43786699

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid (CID 119225488) is 2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid is CC(C)Oc1ccccc1CC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid?
The InChIKey is YGOYBTOFSSDVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)19-12-7-5-4-6-11(12)8-13(16)15-10(3)14(17)18/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid?
2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119225488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).