2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid

C13H17NO4 — CID 62626374

IUPAC2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid
SMILESCc1ccc(OCC(=O)N(C)C(C)C(=O)O)cc1
InChIInChI=1S/C13H17NO4/c1-9-4-6-11(7-5-9)18-8-12(15)14(3)10(2)13(16)17/h4-7,10H,8H2,1-3H3,(H,16,17)
InChIKeyMRKKDPVYXIEMLE-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.31
Rot. Bonds5

About 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid

2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid (PubChem CID 62626374) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid
PubChem CID62626374
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid
SMILESCc1ccc(OCC(=O)N(C)C(C)C(=O)O)cc1
InChIInChI=1S/C13H17NO4/c1-9-4-6-11(7-5-9)18-8-12(15)14(3)10(2)13(16)17/h4-7,10H,8H2,1-3H3,(H,16,17)
InChIKeyMRKKDPVYXIEMLE-UHFFFAOYSA-N
XLogP1.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 62628167
2-(4-acetylphenoxy)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054389
N-methoxy-N-methyl-2-(4-methylphenoxy)acetamide
CID 59178255
2-[methyl(3-phenoxypropanoyl)amino]propanoic acid
CID 62626003
2-[methyl-[3-(4-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119208995
2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid
CID 60829574
N-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide
CID 115267653
2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325608
2-[4-(4-fluorophenoxy)butanoyl-methylamino]propanoic acid
CID 62628008
2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid
CID 110837140
2-[4-(4-bromophenoxy)butanoyl-methylamino]propanoic acid
CID 62626731
2-(4-methylphenoxy)-N-(4-methylphenyl)-N-phenylacetamide
CID 70115450

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid (CID 62626374) is 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid is Cc1ccc(OCC(=O)N(C)C(C)C(=O)O)cc1.
What is the InChIKey of 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid?
The InChIKey is MRKKDPVYXIEMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9-4-6-11(7-5-9)18-8-12(15)14(3)10(2)13(16)17/h4-7,10H,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid?
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 62626374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).