2-[[2-(3-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid

C14H19NO5 — CID 5058554

IUPAC2-[[2-(3-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid
SMILESCOc1cccc(OCC(=O)NC(C(=O)O)C(C)C)c1
InChIInChI=1S/C14H19NO5/c1-9(2)13(14(17)18)15-12(16)8-20-11-6-4-5-10(7-11)19-3/h4-7,9,13H,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyNGQNSPKGCWRPFR-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.30
Rot. Bonds7

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

2-[[2-(3-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid (PubChem CID 5058554) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[[2-(3-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(3-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid
PubChem CID5058554
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[[2-(3-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid
SMILESCOc1cccc(OCC(=O)NC(C(=O)O)C(C)C)c1
InChIInChI=1S/C14H19NO5/c1-9(2)13(14(17)18)15-12(16)8-20-11-6-4-5-10(7-11)19-3/h4-7,9,13H,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyNGQNSPKGCWRPFR-UHFFFAOYSA-N
XLogP1.30
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(3-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[2-(3-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid (CID 5058554) is 2-[[2-(3-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(3-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[2-(3-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid is COc1cccc(OCC(=O)NC(C(=O)O)C(C)C)c1.
What is the InChIKey of 2-[[2-(3-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid?
The InChIKey is NGQNSPKGCWRPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9(2)13(14(17)18)15-12(16)8-20-11-6-4-5-10(7-11)19-3/h4-7,9,13H,8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(3-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid?
2-[[2-(3-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 5058554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).