2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid

C14H19NO4 — CID 82042687

IUPAC2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid
SMILESCC(NC(=O)C(Oc1ccccc1)C(C)C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-9(2)12(13(16)15-10(3)14(17)18)19-11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H,15,16)(H,17,18)
InChIKeyQCJFZTYMOVSNGL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.68
Rot. Bonds6

About 2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid

2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid (PubChem CID 82042687) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid
PubChem CID82042687
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid
SMILESCC(NC(=O)C(Oc1ccccc1)C(C)C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-9(2)12(13(16)15-10(3)14(17)18)19-11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H,15,16)(H,17,18)
InChIKeyQCJFZTYMOVSNGL-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
2-[2-(4-bromophenoxy)propanoylamino]propanoic acid
CID 18837935
(2S)-2-[(3-methyl-2-phenylbutanoyl)amino]propanoic acid
CID 119942798
2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid
CID 53264145
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid
CID 14503812
2-(4-bromophenoxy)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 78893181
(2S)-2-(phenoxyamino)propanoic acid
CID 88593893
2-[4-(hydroxymethyl)phenoxy]-3-methylbutanoic acid
CID 60705654
2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119225488
2-[2-(3,4-difluorophenoxy)propanoylamino]propanoic acid
CID 119225124

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid?
The IUPAC name of 2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid (CID 82042687) is 2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid?
The canonical SMILES for 2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid is CC(NC(=O)C(Oc1ccccc1)C(C)C)C(=O)O.
What is the InChIKey of 2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid?
The InChIKey is QCJFZTYMOVSNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)12(13(16)15-10(3)14(17)18)19-11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid?
2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid is sourced from PubChem (CID 82042687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).