2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid

C15H23NO3 — CID 63064164

IUPAC2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid
SMILESCC(C)CN(CCCOc1ccccc1)CC(=O)O
InChIInChI=1S/C15H23NO3/c1-13(2)11-16(12-15(17)18)9-6-10-19-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,17,18)
InChIKeyBSKOYBNOQNMODD-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.50
Rot. Bonds9

About 2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid

2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid (PubChem CID 63064164) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid
PubChem CID63064164
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid
SMILESCC(C)CN(CCCOc1ccccc1)CC(=O)O
InChIInChI=1S/C15H23NO3/c1-13(2)11-16(12-15(17)18)9-6-10-19-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,17,18)
InChIKeyBSKOYBNOQNMODD-UHFFFAOYSA-N
XLogP2.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.50
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-[carboxymethyl(3-phenoxypropyl)amino]acetic acid
CID 63644970
2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid
CID 62033173
2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
CID 170904752
1,1-bis(2-methylpropyl)-3-(3-phenoxypropyl)urea
CID 108883218
2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid
CID 107704554
3-[2-[bis(2-methylpropyl)amino]ethoxy]benzoic acid
CID 22682901
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
1,1-bis(2-methylpropyl)-3-(2-phenoxyethyl)urea
CID 108887104
4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid
CID 55027827
N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide
CID 76914449
2-[3-phenoxypropylcarbamoyl(propan-2-yl)amino]acetic acid
CID 62380426
2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide
CID 54942583

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid (CID 63064164) is 2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid is CC(C)CN(CCCOc1ccccc1)CC(=O)O.
What is the InChIKey of 2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid?
The InChIKey is BSKOYBNOQNMODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-13(2)11-16(12-15(17)18)9-6-10-19-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid?
2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid has a molecular weight of 265.35 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid is sourced from PubChem (CID 63064164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).