2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid

C16H23NO4 — CID 62033173

IUPAC2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCCOc1ccccc1
InChIInChI=1S/C16H23NO4/c1-13(2)11-17(12-16(19)20)15(18)9-6-10-21-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,19,20)
InChIKeyHHDUXTYWVFGSHT-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.41
Rot. Bonds9

About 2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid

2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid (PubChem CID 62033173) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid
PubChem CID62033173
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCCOc1ccccc1
InChIInChI=1S/C16H23NO4/c1-13(2)11-17(12-16(19)20)15(18)9-6-10-21-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,19,20)
InChIKeyHHDUXTYWVFGSHT-UHFFFAOYSA-N
XLogP2.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid
CID 63064164
2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
CID 62034091
3-[4-(4-fluorophenoxy)butanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190522
1,1-bis(2-methylpropyl)-3-(3-phenoxypropyl)urea
CID 108883218
2-[3-(2-methylphenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63064470
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017
methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate
CID 61383353
2-[ethyl-[4-(3-methylphenoxy)butanoyl]amino]acetic acid
CID 61022486
2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid
CID 55135864
1,1-bis(2-methylpropyl)-3-(2-phenoxyethyl)urea
CID 108887104
2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid (CID 62033173) is 2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)CCCOc1ccccc1.
What is the InChIKey of 2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid?
The InChIKey is HHDUXTYWVFGSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-13(2)11-17(12-16(19)20)15(18)9-6-10-21-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid?
2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid is sourced from PubChem (CID 62033173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).