2-[1-(6-bromonaphthalen-2-yl)oxypropan-2-ylamino]propanoic acid

C16H18BrNO3 — CID 122035568

IUPAC2-[1-(6-bromonaphthalen-2-yl)oxypropan-2-ylamino]propanoic acid
SMILESCC(COc1ccc2cc(Br)ccc2c1)NC(C)C(=O)O
InChIInChI=1S/C16H18BrNO3/c1-10(18-11(2)16(19)20)9-21-15-6-4-12-7-14(17)5-3-13(12)8-15/h3-8,10-11,18H,9H2,1-2H3,(H,19,20)
InChIKeyUMUDMONAPWWUBO-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.43
Rot. Bonds6

About 2-[1-(6-bromonaphthalen-2-yl)oxypropan-2-ylamino]propanoic acid

2-[1-(6-bromonaphthalen-2-yl)oxypropan-2-ylamino]propanoic acid (PubChem CID 122035568) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-[1-(6-bromonaphthalen-2-yl)oxypropan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name2-[1-(6-bromonaphthalen-2-yl)oxypropan-2-ylamino]propanoic acid
PubChem CID122035568
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name2-[1-(6-bromonaphthalen-2-yl)oxypropan-2-ylamino]propanoic acid
SMILESCC(COc1ccc2cc(Br)ccc2c1)NC(C)C(=O)O
InChIInChI=1S/C16H18BrNO3/c1-10(18-11(2)16(19)20)9-21-15-6-4-12-7-14(17)5-3-13(12)8-15/h3-8,10-11,18H,9H2,1-2H3,(H,19,20)
InChIKeyUMUDMONAPWWUBO-UHFFFAOYSA-N
XLogP3.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 3989542
2-(6-bromonaphthalen-2-yl)oxypropan-1-ol
CID 18367588
3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine
CID 62459947
3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid
CID 79622347
methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate
CID 28879850
2-bromo-6-[2-(bromomethyl)butoxy]naphthalene
CID 64995269
3-(6-bromonaphthalen-2-yl)oxybutan-2-one
CID 60624745
(6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
CID 3678098
N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 119996539
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine
CID 55195327
2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride
CID 10380881

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-bromonaphthalen-2-yl)oxypropan-2-ylamino]propanoic acid?
The IUPAC name of 2-[1-(6-bromonaphthalen-2-yl)oxypropan-2-ylamino]propanoic acid (CID 122035568) is 2-[1-(6-bromonaphthalen-2-yl)oxypropan-2-ylamino]propanoic acid.
What is the SMILES notation for 2-[1-(6-bromonaphthalen-2-yl)oxypropan-2-ylamino]propanoic acid?
The canonical SMILES for 2-[1-(6-bromonaphthalen-2-yl)oxypropan-2-ylamino]propanoic acid is CC(COc1ccc2cc(Br)ccc2c1)NC(C)C(=O)O.
What is the InChIKey of 2-[1-(6-bromonaphthalen-2-yl)oxypropan-2-ylamino]propanoic acid?
The InChIKey is UMUDMONAPWWUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-10(18-11(2)16(19)20)9-21-15-6-4-12-7-14(17)5-3-13(12)8-15/h3-8,10-11,18H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(6-bromonaphthalen-2-yl)oxypropan-2-ylamino]propanoic acid?
2-[1-(6-bromonaphthalen-2-yl)oxypropan-2-ylamino]propanoic acid has a molecular weight of 352.23 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-bromonaphthalen-2-yl)oxypropan-2-ylamino]propanoic acid is sourced from PubChem (CID 122035568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).