2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid

C16H23NO4 — CID 60828723

IUPAC2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CCOc1ccccc1C
InChIInChI=1S/C16H23NO4/c1-4-13(3)17(11-16(19)20)15(18)9-10-21-14-8-6-5-7-12(14)2/h5-8,13H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyNLYUBOIRJQYCRI-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.48
Rot. Bonds8

About 2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid

2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid (PubChem CID 60828723) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid
PubChem CID60828723
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CCOc1ccccc1C
InChIInChI=1S/C16H23NO4/c1-4-13(3)17(11-16(19)20)15(18)9-10-21-14-8-6-5-7-12(14)2/h5-8,13H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyNLYUBOIRJQYCRI-UHFFFAOYSA-N
XLogP2.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylphenoxy)butanoyl-propan-2-ylamino]acetic acid
CID 60832572
2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
CID 62034091
2-[3-(2,6-dimethylphenoxy)propanoyl-propan-2-ylamino]acetic acid
CID 60831350
2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid
CID 60838634
2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 60829928
2-[4-(2-methylphenoxy)butanoyl-propylamino]acetic acid
CID 61007178
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
2-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]acetic acid
CID 61022363
3-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43240704
N-(2-ethylbutyl)-3-(2-methylphenoxy)propanamide
CID 115612578
3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid
CID 62964902
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid (CID 60828723) is 2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)CCOc1ccccc1C.
What is the InChIKey of 2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid?
The InChIKey is NLYUBOIRJQYCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-13(3)17(11-16(19)20)15(18)9-10-21-14-8-6-5-7-12(14)2/h5-8,13H,4,9-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid?
2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid is sourced from PubChem (CID 60828723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).