2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid

C15H21NO4 — CID 60829574

IUPAC2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C15H21NO4/c1-4-12(3)16(9-15(18)19)14(17)10-20-13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyIXOWDUDQVNLRSH-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.09
Rot. Bonds7

About 2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid

2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid (PubChem CID 60829574) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid
PubChem CID60829574
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C15H21NO4/c1-4-12(3)16(9-15(18)19)14(17)10-20-13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyIXOWDUDQVNLRSH-UHFFFAOYSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 119954855
2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 55020988
2-[butan-2-yl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]acetic acid
CID 119954527
2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 60829928
2-[tert-butyl-[2-(4-methylphenoxy)acetyl]amino]acetic acid
CID 79266539
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid
CID 62626374
2-(4-methylphenoxy)-N-(4-methylphenyl)-N-phenylacetamide
CID 70115450
(2R)-2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 100733683
2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132706947
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 100549094
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 100549077
3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325601

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid (CID 60829574) is 2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)COc1ccc(C)cc1.
What is the InChIKey of 2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid?
The InChIKey is IXOWDUDQVNLRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-12(3)16(9-15(18)19)14(17)10-20-13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid?
2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 60829574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).