4-[amino(diphenyl)methoxy]butanoic acid

C17H19NO3 — CID 23216391

IUPAC4-[amino(diphenyl)methoxy]butanoic acid
SMILESNC(OCCCC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO3/c18-17(14-8-3-1-4-9-14,15-10-5-2-6-11-15)21-13-7-12-16(19)20/h1-6,8-11H,7,12-13,18H2,(H,19,20)
InChIKeyINGFKHXOEPYNIY-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.73
Rot. Bonds7

About 4-[amino(diphenyl)methoxy]butanoic acid

4-[amino(diphenyl)methoxy]butanoic acid (PubChem CID 23216391) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[amino(diphenyl)methoxy]butanoic acid.

Molecular Properties

Compound Name4-[amino(diphenyl)methoxy]butanoic acid
PubChem CID23216391
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name4-[amino(diphenyl)methoxy]butanoic acid
SMILESNC(OCCCC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO3/c18-17(14-8-3-1-4-9-14,15-10-5-2-6-11-15)21-13-7-12-16(19)20/h1-6,8-11H,7,12-13,18H2,(H,19,20)
InChIKeyINGFKHXOEPYNIY-UHFFFAOYSA-N
XLogP2.73
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(5-trityloxypentoxy)pentanoic acid
CID 122573368
5-carbamoyl-6,6,6-triphenylhexanoic acid
CID 57145609
4-[3-(trifluoromethyl)benzoyl]oxybutanoic acid
CID 126727259
octadecanoic acid;2-phenylpropan-2-amine;hydrochloride
CID 175449619
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
phosphane;6,6,6-triphenylhexanoic acid
CID 175595654
6-amino-5-methyl-5-phenylhexanoic acid
CID 146308084
4-[(2R)-2-amino-3-phenylpropanoyl]oxybutanoic acid
CID 174208096
1,1'-biphenyl;decanedioic acid;hydrazine
CID 159076350
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
2-(3-carboxypropoxy)benzoic acid
CID 14661645
(2R)-2-amino-2-tritylpentanedioic acid
CID 176719720

Frequently Asked Questions

What is the IUPAC name of 4-[amino(diphenyl)methoxy]butanoic acid?
The IUPAC name of 4-[amino(diphenyl)methoxy]butanoic acid (CID 23216391) is 4-[amino(diphenyl)methoxy]butanoic acid.
What is the SMILES notation for 4-[amino(diphenyl)methoxy]butanoic acid?
The canonical SMILES for 4-[amino(diphenyl)methoxy]butanoic acid is NC(OCCCC(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[amino(diphenyl)methoxy]butanoic acid?
The InChIKey is INGFKHXOEPYNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c18-17(14-8-3-1-4-9-14,15-10-5-2-6-11-15)21-13-7-12-16(19)20/h1-6,8-11H,7,12-13,18H2,(H,19,20).
What are the key properties of 4-[amino(diphenyl)methoxy]butanoic acid?
4-[amino(diphenyl)methoxy]butanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(diphenyl)methoxy]butanoic acid is sourced from PubChem (CID 23216391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).